CAS 85331-33-5|3,5-dichloropyridine-2-carbonitrile|3,5-Dichloropyridine-2-carbonitrile|3,5-dichloropyridine-2-carbonitrile|2-Cyano-3,5-dichloropyridine|2-Cyano-3,5-dichloropyridine|3,5-Dichloro-2-cy...

General Information

Structure

Molecular Formula

C₆H₂Cl₂N₂

Molecular Mass

172.99948

Exact Mass

171.95950343

Charge

InChI

InChI=1S/C6H2Cl2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H

InChIKey

ATUOLSDAAPMVJJ-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ncc(cc1Cl)Cl

Isomeric Smiles

c1(c(cc(cn1)Cl)Cl)C#N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2056093

LogD (pH = 7.4)

2.2056093

Log P

2.2056093

Molar Refractivity

38.8603

Polarizability

15.15069

Polar Surface Area

36.68

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3,5-dichloropyridine-2-carbonitrile

Synonyms

3,5-Dichloropyridine-2-carbonitrile2-Cyano-3,5-dichloropyridine2-Cyano-3,5-dichloropyridine3,5-Dichloropyridine-2-carbonitrile3,5-Dichloro-2-cyanopyridine3,5-Dichloro-2-cyanopyridine3,5-Dichloro-2-cyanopyridine3,5-二氯-2-氰基吡啶3,5-Dichloropicolinonitrile

IUPAC name

3,5-dichloropyridine-2-carbonitrile

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID