4-Bromopyridine-3-carboxylic acid

C₆H₄BrNO₂CAS 15366-62-8202.01 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

Warning

H302 Harmful if swallowed97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

15366-62-8

SMILES

C1=CN=CC(=C1Br)C(=O)O

InChIKey

CZLOEKRJQIAKFI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromonicotinic acid

Work with 4-Bromopyridine-3-carboxylic 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

Cinchomeronic acid490-11-967 % similar 4-Chloronicotinic acid10177-29-459 % similar 4-Methylnicotinic acid3222-50-259 % similar 2-Bromobenzoic acid88-65-358 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-956 % similar 3-Fluoropyridine-4-carboxylic acid393-53-354 % similar 3-Methyl-isonicotinic acid4021-12-954 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-254 % similar

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

Same formula

3-Bromoisonicotinic acid13959-02-9 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 1-Bromo-2-nitrobenzene577-19-5

Elsewhere

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