chempirical

2-(5-Bromopyridin-2-yl)acetic acid

C7H6BrNO2CAS 192642-85-6216.03 g/mol

Open in Covalent MOL file
NBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
logP
1.47Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
192642-85-6
SMILES
C1=CC(=NC=C1Br)CC(=O)O
InChIKey
ATKULCGQSLCGEK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)

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Names and synonyms

1 names
  • (5-Bromopyridin-2-yl)acetic acid

Work with 2-(5-Bromopyridin-2-yl)acetic 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

4-Bromophenylacetic acid1878-68-861 % similar Bikinin188011-69-051 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-650 % similar 3-Bromophenylacetic acid1878-67-750 % similar 2-Pyridylacetic acid hydrochloride16179-97-849 % similar 2,5-Dibromobenzeneacetic acid203314-28-749 % similar 5-Bromopyridine-2-carboxylic acid30766-11-149 % similar 5-Bromo-2-pyridinemethanamine173999-23-049 % similar

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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 Methyl 6-bromopyridine-3-carboxylate26218-78-0

Elsewhere

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