5-Bromopyridine-2-carboxylic acid

C₆H₄BrNO₂CAS 30766-11-1202.01 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

30766-11-1

SMILES

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

InChIKey

MNNQIBXLAHVDDL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Bromopyridine-2-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

5-Hydroxypyridine-2-carboxylic acid15069-92-865 % similar 2,5-Pyridinedicarboxylic acid100-26-561 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-658 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-558 % similar 5-Bromopyridine-2-carbonyl chloride137178-88-258 % similar 1-(5-Bromopyridin-2-yl)ethan-1-one214701-49-258 % similar 5-Aminopicolinic acid24242-20-458 % similar 5-Chloropyridine-2-carboxylic acid86873-60-158 % 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 2-Bromonicotinic acid35905-85-2 1-Bromo-2-nitrobenzene577-19-5

Elsewhere

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