Chemical Properties of Isoniazid (CAS 54-85-3)

Isoniazid

InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChI Key
QRXWMOHMRWLFEY-UHFFFAOYSA-N
Formula
C6H7N3O
SMILES
NNC(=O)c1ccncc1
Molecular Weight1
137.14
CAS
54-85-3
Other Names
  • 4-(hydrazinocarbonyl)pyridine
  • 4-Pyridylcarbonyl hydrazide
  • 4-pyridinecarbonylhydrazine
  • 4-pyridinecarboxylic acid, hydrazide
  • 4-pyridinecarboxylic hydrazide
  • 4-pyridylcarbonylhydrazide
  • 5015 R.P.
  • Amidon
  • Andrazide
  • Antimicina
  • Antituberkulosum
  • Armacide
  • Armazid
  • Armazide
  • Atcotibine
  • Azuren
  • BP 5015
  • Bacillin
  • Cedin
  • Cemidon
  • Chemiazid
  • Chemidon
  • Cortinazine
  • Cotinazin
  • Cotinizin
  • Defonin
  • Dibutin
  • Diforin
  • Dinacrin
  • Ditubin
  • Ebidene
  • Eralon
  • Ertuban
  • Eutizon
  • Evalon
  • FSR 3
  • Fimalene
  • GINK
  • HIA
  • Hidranizil
  • Hidrasonil
  • Hidrulta
  • Hidrun
  • Hycozid
  • Hydrazid
  • Hyozid
  • Hyzyd
  • IN-73
  • INAH
  • INH
  • Ido-tebin
  • Idrazil
  • Inizid
  • Iscotin
  • Isidrina
  • Ismazide
  • Isobicina
  • Isocid
  • Isocidene
  • Isocotin
  • Isohydrazide
  • Isolyn
  • Isonazid
  • Isonerit
  • Isonex
  • Isoniacid
  • Isoniazid SA
  • Isoniazide
  • Isonicazide
  • Isonicid
  • Isonico
  • Isonicotan
  • Isonicotil
  • Isonicotinhydrazid
  • Isonicotinic hydrazide
  • Isonicotinohydrazide
  • Isonicotinylhydrazide
  • Isonicotinylhydrazine
  • Isonide
  • Isonidrin
  • Isonikazid
  • Isonilex
  • Isonin
  • Isonindon
  • Isonirit
  • Isoniton
  • Isonizide
  • Isotebezid
  • Isozide
  • Isozyd
  • Laniazid
  • Mayambutol
  • Mybasan
  • NSC 9659
  • Neoteben
  • Neoxin
  • Neumandin
  • Nevin
  • Niadrin
  • Nicetal
  • Nicizina
  • Niconyl
  • Nicotibina
  • Nicotisan
  • Nicozide
  • Nidaton
  • Nidrazid
  • Nikozid
  • Niplen
  • Nitadon
  • Nydrazid
  • Nyscozid
  • Pelazid
  • Preparation 6424
  • Pycazide
  • Pyricidin
  • Pyridine-4-carbohydrazide
  • Pyrizidin
  • RU-EF-Tb
  • Raumanon
  • Retozide
  • Rimicid
  • Rimifon
  • Rimiphone
  • Rimitsid
  • Robisellin
  • Sauterazid
  • TB-Razide
  • TB-Vis
  • Tebecid
  • Teebaconin
  • Tekazin
  • Tibinide
  • Tibizide
  • Tisin
  • Tisiodrazida
  • Tizide
  • Tubazid
  • Tubazide
  • Tubeco
  • Tubicon
  • Tubilysin
  • Tubomel
  • Tyvid
  • Unicozyde
  • Vazadrine
  • Vederon
  • Zidafimia
  • Zinadon
  • Zonazide
  • [(4-Pyridinylcarbonyl)oxy]hydrazine
  • isonicotinic acid hydrazide
  • isonicotinoyl hydrazide
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Physical Properties

Property Value Unit Source
Δfus [27.91; 31.10] kJ/mol Show Hide
Δfus 27.91 kJ/mol A favourable solubility of isoniazid, an antitubercular antibiotic drug, in alternative solvents
Δfus 31.10 kJ/mol Solution thermodynamics of pyrazinamide, isoniazid, and p-aminobenzoic acid in buffers and octanol
Δvap 79.86 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS [9.00e-03; 0.01]   Show Hide
log10WS 0.01 Aq. Solubility Prediction
log10WS 9.00e-03 Estimated Solubility
logPoct/wat -0.315 Crippen Calculated Property
McVol 103.150 ml/mol McGowan Calculated Property
Inp [1582.00; 1582.00]   Show Hide
Inp 1582.00 NIST
Inp 1582.00 NIST
Tboil 568.41 K Relay (1.0) Calculated Property
Tfus [444.47; 445.84] K Show Hide
Tfus 445.84 K Ammonium ionic liquids as green solvents for drugs
Tfus 445.84 K Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds
Tfus 445.84 K Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid
Tfus 445.84 K Solubility Data as a Response for a Challenge for Formulation Chemists: Imidazolium-Based Ionic Liquids and Antitubercular Antibiotic Medicines
Tfus 444.47 K Aq. Solubility Prediction
Ttriple 446.04 K Solubility and Data Correlation of Isoniazid in Different Pure and Binary Mixed Solvent Systems from 283.15 K to 323.15 K

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

4-Pyridinecarboxamide. Iproniazid. 3-Pyridinecarboxylic acid, hydrazide. BENZOHYDRAZIDE. TEREPHTHALIC ACID DIHYDRAZIDE. Isonicotinamide, N-(4-bromophenyl)-. Isonicotinamide, N-(4-fluorophenyl)-. «beta»-Naphthoylhydrazine. p-Bromobenzoic acid hydrazide. 4-(Aminomethyl)pyridine. 4-Chlorobenzoic acid hydrazide. 4-Trifluoromethylbenzhydrazide. 3-Bromobenzoic acid hydrazide. 1-Naphthhydrazide. Benzoic acid, 4-methyl-, hydrazide.

Find more compounds similar to Isoniazid.

Mixtures

Sources

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