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

基本信息

化学结构

分子式

C₈H₈N₂O

分子量

148.16192

精确质量

148.06366289

电荷

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

计算属性

JChem

Acid pKa

10.236771

质子受体

质子供体

LogD (pH = 5.5)

1.5473455

LogD (pH = 7.4)

1.5467299

Log P

1.5473534

摩尔折射率

41.5498

极化性

15.406417

极化表面积

56.91

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

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

IUPAC标准名

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

别名

2-Hydroxy-4,6-dimethylnicotinonitrile4,6-Dimethyl-2-hydroxynicotinonitrile2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile3-Cyano-4,6-dimethyl-2-hydroxypyridine4,6-Dimethyl-2-hydroxynicotinonitrile3-氰基-4,6-二甲基-2-羟基吡啶3-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5-Cyano-6-hydroxy-2,4-lutidine3-Cyano-2-hydroxy-4,6-dimethylpyridine3-氰基-2-羟基-4,6-二甲基吡啶4,6-Dimethyl-2-hydroxypyridine-3-carbonitrile

名称和标识

数据登录号

MDL号

PubChem SID

EC号

CAS号

Beilstein号