CAS 769-28-8|2-Hydroxy-4,6-dimethylnicotinonitrile|2-hydroxy-4,6-dimethylpyridine-3-carbonitrile|2-hydroxy-4,6-dimethylpyridine-3-carbonitrile|4,6-Dimethyl-2-hydroxynicotinonitrile|2-Hydroxy-4,6-dim...

General Information

Structure

Molecular Formula

C₈H₈N₂O

Molecular Mass

148.16192

Exact Mass

148.06366289

Charge

InChI

InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)

InChIKey

OCYMJCILWYHKAU-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(C)cc(nc1O)C

Isomeric Smiles

c1(c(nc(cc1C)C)O)C#N

Calculated Properties

JChem

Acid pKa

10.236771

H Acceptors

H Donor

LogD (pH = 5.5)

1.5473455

LogD (pH = 7.4)

1.5467299

Log P

1.5473534

Molar Refractivity

41.5498

Polarizability

15.406417

Polar Surface Area

56.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Hydroxy-4,6-dimethylnicotinonitrile4,6-Dimethyl-2-hydroxynicotinonitrile2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile3-CYANO-4,6-DIMETHYL-2-HYDROXYPYRIDINE3-Cyano-4,6-dimethyl-2-hydroxypyridine2-羟基-3-氰基-4,6-二甲基吡啶4,6-二甲基-2-羟基烟碱腈3-氰基-4,6-二甲基-2-羟基吡啶4,6-Dimethyl-2-hydroxynicotinonitrile4,6-Dimethyl-2-hydroxypyridine-3-carbonitrile3-Cyano-2-hydroxy-4,6-dimethylpyridine3-氰基-2-羟基-4,6-二甲基吡啶5-Cyano-6-hydroxy-2,4-lutidine

IUPAC name

2-hydroxy-4,6-dimethylpyridine-3-carbonitrile

IUPAC Traditional name

2-hydroxy-4,6-dimethylpyridine-3-carbonitrile

Names and Identifiers

Registration numbers

MDL Number

MFCD00006269

EC Number

212-207-5

CAS Number

769-28-8