CAS 35590-37-5|5-bromopyridine-3-carbonitrile|5-bromopyridine-3-carbonitrile|3-Bromo-5-cyanopyridine|3-Bromo-5-cyanopyridine 97%|5-bromopyridine-3-carbonitrile|5-bromonicotinonitrile|5-Bromonicotino...

General Information

Structure

Molecular Formula

C₆H₃BrN₂

Molecular Mass

183.00542

Exact Mass

181.94796011

Charge

InChI

InChI=1S/C6H3BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

InChIKey

FTFFHWWIPOQCBC-UHFFFAOYSA-N

Canonic Smiles

Brc1cc(cnc1)C#N

Isomeric Smiles

c1c(cc(cn1)C#N)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3804215

LogD (pH = 7.4)

1.3804222

Log P

1.3804222

Molar Refractivity

37.2455

Polarizability

14.160898

Polar Surface Area

36.68

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

5-bromopyridine-3-carbonitrile

IUPAC name

5-bromopyridine-3-carbonitrile

Synonyms

3-Bromo-5-cyanopyridine3-Bromo-5-cyanopyridine 97%5-bromopyridine-3-carbonitrile5-bromonicotinonitrile5-Bromonicotinonitrile3-Cyano-5-bromopyridine5-Bromo-3-cyanopyridine5-Bromo-3-cyanopyridine5-溴-3-氰基吡啶5-Bromo-3-cyanopyridine5-Bromo-3-pyridinecarbonitrile5-Bromopyridine-3-carbonitrile

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties