CAS 28900-10-9|2-Chloro-6-methyl-3-pyridinecarbonitrile|2-chloro-6-methylpyridine-3-carbonitrile|2-chloro-6-methylpyridine-3-carbonitrile|2-Chloro-6-methylpyridine-3-carbonitrile|2-Chloro-3-cyano-6-...

General Information

Structure

Molecular Formula

C₇H₅ClN₂

Molecular Mass

152.581

Exact Mass

152.01412585

Charge

InChI

InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3

InChIKey

YSBNBAYNISAUIT-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(n1)Cl)C#N

Isomeric Smiles

c1(c(ccc(n1)C)C#N)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5672616

LogD (pH = 7.4)

1.5672616

Log P

1.5672616

Molar Refractivity

40.0803

Polarizability

14.99069

Polar Surface Area

36.68

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-chloro-6-methylpyridine-3-carbonitrile

IUPAC name

2-chloro-6-methylpyridine-3-carbonitrile

Synonyms

2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-6-methylnicotinonitrile 99%2-Chloro-3-cyano-6-methylpyridine2-Chloro-6-methylpyridine-3-carbonitrile2-chloro-6-methylnicotinonitrile2-Chloro-6-methyl-nicotinonitrile2-Chloro-6-methyl-3-pyridinecarbonitrile2-氯-6-甲基-3-吡啶甲腈2-chloro-6-methylpyridine-3-carbonitrile2-Chloro-6-methylnicotinonitrile2-氯-3-氰基-6-甲基吡啶2-Chloro-3-cyano-6-methylpyridine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

Beilstein Number

EC Number