5-Bromo-3-fluoropicolinic acid

C₆H₃BrFNO₂CAS 669066-91-5220.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₃BrFNO₂
Molar mass: 220.00 g/mol
Exact mass: 218.9331 Da
logP: 1.68Crippen 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 inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

669066-91-5

SMILES

O=C(O)c1ncc(Br)cc1F

InChIKey

JXHUXOAJAYWMHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

2-Pyridinecarboxylic acid, 5-bromo-3-fluoro-
5-Bromo-3-fluoro-2-pyridinecarboxylic acid
5-Bromo-3-fluoropyridine-2-carboxylic acid

Work with 5-Bromo-3-fluoropicolinic 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

3,5-Difluoropyridine-2-carboxylic acid745784-04-766 % similar 3-Amino-5-bromopyridine-2-carboxylic acid870997-85-662 % similar 5-Bromo-2-carboxy-3-methylpyridine886365-43-162 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-557 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-157 % similar 5-Bromo-3-nitropyridine-2-carboxylic acid954240-89-255 % similar 4-Bromo-2-fluorobenzoic acid112704-79-753 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-nitrobenzene185331-69-5 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-5 4-Bromo-2-fluoro-1-nitrobenzene321-23-3 4-Bromo-1-fluoro-2-nitrobenzene364-73-8 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-7 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 3-Bromo-2-fluoronitrobenzene58534-94-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook