chempirical

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

C6H3BrFNO2CAS 29241-66-5220.00 g/mol

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

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)

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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 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-459 % similar 5-Bromo-2-fluorobenzoic acid146328-85-053 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-651 % similar 2-Fluoronicotinic acid393-55-550 % 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-fluoro-3-pyridinecarboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 5-Bromo-3-fluoropicolinic acid669066-91-5 2-Bromo-4-fluoro-1-nitrobenzene700-36-7

Elsewhere

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