chempirical

3-Bromopyridine-2-carboxylic acid

C6H4BrNO2CAS 30683-23-9202.01 g/mol

Open in Covalent MOL file
NOOHBr
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
30683-23-9
SMILES
C1=CC(=C(N=C1)C(=O)O)Br
InChIKey
KBDIRPOTVAODSA-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO2/c7-4-2-1-3-8-5(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 3-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

Quinolinic acid339155-13-465 % similar Quinolinic acid89-00-965 % similar 3-Hydroxypicolinic acid874-24-863 % similar 3-Aminopicolinic acid1462-86-861 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-361 % similar 3-Methylpicolinic acid4021-07-261 % similar 3-Chloropyridine-2-carboxylic acid57266-69-061 % similar 2,3-Pyrazinedicarboxylic acid89-01-057 % 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 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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