3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid

C₉H₅BrClN₃O₂CAS 500011-86-9302.51 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₅BrClN₃O₂
Molar mass: 302.51 g/mol
Exact mass: 300.9254 Da
Melting point: 197–200 °C
logP: 2.38Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

H412 Harmful to aquatic life with long lasting effects95.7% of notifiers

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

500011-86-9

SMILES

O=C(O)c1cc(Br)nn1-c1ncccc1Cl

InChIKey

FORBXGROTPOMEH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)

Weigh it out

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Names and synonyms

2 names

1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Work with 3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-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

3-Chloropyridine-2-carboxylic acid57266-69-049 % similar 6-Bromopyridine-2-carboxylic acid21190-87-443 % similar 2-Bromo-6-chlorobenzoic acid93224-85-243 % similar 2,6-Dichlorobenzoic acid50-30-642 % similar 3-Bromopyridine-2-carboxylic acid30683-23-940 % similar 2-Chloronicotinic acid2942-59-840 % similar 2-Bromonicotinic acid35905-85-240 % similar 2-Bromoisonicotinic acid66572-56-340 % similar

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

Elsewhere

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