Chemical Properties of Nicotinonitrile, 2-hydroxy-4-(methoxymethyl)-6-methyl- (CAS 6339-38-4)

Nicotinonitrile, 2-hydroxy-4-(methoxymethyl)-6-methyl-

InChI
InChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3H,5H2,1-2H3,(H,11,12)
InChI Key
KLNRUMOPNATILS-UHFFFAOYSA-N
Formula
C9H10N2O2
SMILES
COCc1cc(C)[nH]c(=O)c1C#N
Molecular Weight1
178.19
CAS
6339-38-4
Other Names
  • Pyridine-3-carbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-
  • 4-(Methoxymethyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
  • 3-Cyano-4-methoxymethyl-6-methyl-(2-pyridone)
  • 1,2-Dihydro-4-methoxymethyl-6-methyl-2-oxo-3-pyridinecarbonitrile
  • 3-Pyridinecarbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-
  • 2-Methyl-4-methoxymethyl-5-cyano-6-hydroxypyridine
  • 5-Cyano-6-hydroxy-2-methyl-4-(methoxymethyl)pyridine
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Physical Properties

Property Value Unit Source
ω 0.6018 Relay (1.0) Calculated Property
ΔfG° 65.23 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -122.63 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 84.30 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -0.78 Relay (1.0) Calculated Property
logPoct/wat 0.219 Crippen Calculated Property
McVol 137.010 ml/mol McGowan Calculated Property
Pc 3042.24 kPa Relay (1.0-beta) Calculated Property
S°solid,1 bar 269.23 J/mol×K NIST
Tboil 591.37 K Relay (1.0) Calculated Property
Tc 818.01 K Relay (1.0) Calculated Property
Tfus 462.21 K Relay (1.0) Calculated Property
Vc 0.487 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 211.76 J/mol×K 298.15 NIST

Similar Compounds

Rhodoporphyrin-XV dimethyl ester, bis(trimethylsyloxy)silicon(IV) derivative. Naltrexone. Oxycodone, trimethylsilyl ether. Moexipril Me. Oxycodone. Hydroxy-N-methylcytisine. Moexipril desethyl 3Me (Moexprilate 3Me). Yohimbine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Oxymorphone. Naloxone, bis(trimethylsilyl) ether. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Naloxone. Ibogaine.

Find more compounds similar to Nicotinonitrile, 2-hydroxy-4-(methoxymethyl)-6-methyl-.

Sources

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