6-Bromo-5-fluoro-3-pyridinecarboxylic acid

C₆H₃BrFNO₂CAS 38186-87-7220.00 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

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

Aggregated from 41 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

38186-87-7

SMILES

O=C(O)c1cnc(Br)c(F)c1

InChIKey

YYLYQDSWERQSTR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

3-Pyridinecarboxylic acid, 6-bromo-5-fluoro-
6-Bromo-5-fluoronicotinic acid

Work with 6-Bromo-5-fluoro-3-pyridinecarboxylic 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

6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-662 % similar 4-Bromo-3-fluorobenzoic acid153556-42-453 % similar 3,4,5-Trifluorobenzoic acid121602-93-551 % similar 5-Fluoronicotinic acid402-66-451 % similar 3-Bromo-4,5-difluorobenzoic acid1244642-73-651 % similar 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-150 % similar 3,4-Difluorobenzoic acid455-86-750 % similar 5-Bromo-3-fluoropicolinic acid669066-91-550 % 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 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 3-Bromo-2-fluoronitrobenzene58534-94-4 2-Bromo-1-fluoro-3-nitrobenzene59255-94-6

Elsewhere

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