5-Bromo-2-fluoropyridine-3-carboxylic acid

C₆H₃BrFNO₂CAS 29241-66-5220.00 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 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

29241-66-5

SMILES

C1=C(C=NC(=C1C(=O)O)F)Br

InChIKey

VUGXRWXIIOSMCF-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)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

1 names

5-Bromo-2-fluoronicotinic acid

Work with 5-Bromo-2-fluoropyridine-3-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

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-066 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-464 % similar 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-162 % similar 5-Bromo-2-chloronicotinic acid29241-65-462 % similar 2-Amino-5-bromonicotinic acid52833-94-062 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-459 % similar 5-Bromo-3-fluoropicolinic acid669066-91-558 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-nitrobenzene185331-69-5 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 2-Bromo-1-fluoro-3-nitrobenzene59255-94-6

Elsewhere

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