4-Bromopyridine-2-carboxylic acid

C₆H₄BrNO₂CAS 30766-03-1202.01 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

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

30766-03-1

SMILES

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

InChIKey

RPHHYRNGCJYQSP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-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

Lutidinic acid499-80-963 % similar 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-061 % similar 4-Aminopicolinic acid100047-36-759 % similar 4-Methylpyridine-2-carboxylic acid4021-08-359 % similar 4-Iodopyridine-2-carboxylic acid405939-79-959 % similar 4-Chloropyridine-2-carboxylic acid5470-22-459 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-459 % similar 4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-054 % 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 5-Bromopyridine-2-carboxylic acid30766-11-1 2-Bromonicotinic acid35905-85-2 1-Bromo-2-nitrobenzene577-19-5

Elsewhere

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