CAS 118289-17-1|2-Bromoisonicotinaldehyde|2-Bromopyridine-4-carboxaldehyde|2-bromopyridine-4-carbaldehyde|2-bromopyridine-4-carbaldehyde|2-Bromo-4-formylpyridine|2-Bromopyridine-4-carboxaldehyde|2-B...

General Information

Structure

Molecular Formula

C₆H₄BrNO

Molecular Mass

186.00606

Exact Mass

184.94762575

Charge

InChI

InChI=1S/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H

InChIKey

RTWLIQFKXMWEJY-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccnc(c1)Br

Isomeric Smiles

c1cnc(cc1C=O)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4423498

LogD (pH = 7.4)

1.4423504

Log P

1.4423504

Molar Refractivity

38.9501

Polarizability

14.307585

Polar Surface Area

29.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromopyridine-4-carbaldehyde

Synonyms

2-Bromo-4-formylpyridine2-Bromopyridine-4-carboxaldehyde2-Bromoisonicotinaldehyde2-Bromopyridine-4-carboxaldehyde2-Bromo-4-pyridinecarboxaldehyde2-溴吡啶-4-甲醛2-Bromo-4-pyridinecarboxaldehyde2-溴-4-吡啶甲醛2-Bromopyridine-4-carboxaldehyde2-溴吡啶-4-甲醛2-Bromoisonicotinaldehyde2-溴-4-甲酰吡啶

IUPAC Traditional name

2-bromopyridine-4-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number