chempirical

5-Bromo-1H-indole-2-carboxylic acid

C9H6BrNO2CAS 7254-19-5240.06 g/mol

Open in Covalent MOL file
BrNHOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H6BrNO2
Molar mass
240.06 g/mol
Exact mass
238.9582 Da
logP
2.63Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7254-19-5
SMILES
C1=CC2=C(C=C1Br)C=C(N2)C(=O)O
InChIKey
YAULOOYNCJDPPU-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)

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Names and synonyms

1 names
  • 5-Bromoindole-2-carboxylic acid

Work with 5-Bromo-1H-indole-2-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

5-Hydroxyindole-2-carboxylic acid21598-06-169 % similar Indole-2,5-dicarboxylic acid117140-77-967 % similar 5-Methylindole-2-carboxylic acid10241-97-163 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-263 % similar 5-Amino-1H-indole-2-carboxylic acid152213-40-663 % similar 5-Fluoroindole-2-carboxylic acid399-76-863 % similar Indole-2-carboxylic acid1477-50-561 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-159 % similar

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

Same formula

5-Bromo-1H-indole-3-carboxylic acid10406-06-1 4-Bromo-5-methyl-2,3-indolinedione147149-84-6 6-Bromo-1H-indole-2-carboxylic acid16732-65-3 N-(Bromomethyl)phthalimide5332-26-3 6-Bromo-4-hydroxyquinolin-2(1H)-one54675-23-9 4-Bromo-7-methylisatin874375-17-4

Elsewhere

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