6-Bromonicotinic acid

C₆H₄BrNO₂CAS 6311-35-9202.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄BrNO₂
Molar mass: 202.01 g/mol
Exact mass: 200.9425 Da
logP: 1.54Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6311-35-9

SMILES

C1=CC(=NC=C1C(=O)O)Br

InChIKey

JDJBRMNTXORYEN-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6-Bromonicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-863 % similar 2,5-Pyridinedicarboxylic acid100-26-561 % similar 6-Fluoronicotinic acid403-45-259 % similar 6-Hydroxynicotinic acid5006-66-659 % similar 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-458 % similar 6,6′-Dithiodinicotinic acid15658-35-258 % similar 6-Methylpyridine-3-carboxylic acid3222-47-758 % similar 6-Chloronicotinic acid5326-23-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromoisonicotinic acid13959-02-9 4-Bromopyridine-3-carboxylic acid15366-62-8 5-Bromonicotinic acid20826-04-4 6-Bromopyridine-2-carboxylic acid21190-87-4 3-Bromopyridine-2-carboxylic acid30683-23-9 4-Bromopyridine-2-carboxylic acid30766-03-1 5-Bromopyridine-2-carboxylic acid30766-11-1 2-Bromonicotinic acid35905-85-2

Elsewhere

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