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-Pyridinecarbonylhydrazine
  • 4-Pyridinecarboxylic acid, hydrazide
  • 4-Pyridylcarbonyl 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 acid hydrazide
  • Isonicotinic hydrazide
  • Isonicotinohydrazide
  • Isonicotinoyl hydrazide
  • 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
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Physical Properties

Property Value Unit Source
ω 0.5366 Relay (1.0) Calculated Property
Δf 159.90 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 49.99 kJ/mol Relay (1.0) Calculated Property
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 79.22 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
Pc 5189.47 kPa Relay (1.0-beta) 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
Tc 839.04 K Relay (1.0) Calculated Property
Tfus [444.47; 445.84] K Show Hide
Tfus 444.47 K Aq. Solubility Prediction
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
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
Vc 0.363 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-Pyridinecarboxamide. Iproniazid. Nicotinic acid hydrazide. Benzoic acid, hydrazide. Terephthalic dihydrazide. Isonicotinamide, N-(4-bromophenyl)-. Isonicotinamide, N-(4-fluorophenyl)-. «beta»-Naphthoylhydrazine. 4-Bromobenzoic acid hydrazide. 4-(Aminomethyl)pyridine. 4-Chlorobenzoic acid hydrazide. 4-Trifluoromethylbenzhydrazide. 3-Bromobenzoic acid hydrazide. «alpha»-Naphthoylhydrazine. Benzoic acid, 4-methyl-, hydrazide.

Find more compounds similar to Isoniazid.

Mixtures

Sources

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