Methyl 4-bromo-1H-indole-6-carboxylate

C₁₀H₈BrNO₂CAS 882679-96-1254.08 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₈BrNO₂
Molar mass: 254.08 g/mol
Exact mass: 252.9738 Da
logP: 2.72Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
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

882679-96-1

SMILES

COC(=O)C1=CC2=C(C=CN2)C(=C1)Br

InChIKey

BHADJPVQZXGIFH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3

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Names and synonyms

1 names

1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester

Work with Methyl 4-bromo-1H-indole-6-carboxylate

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

Methyl 4-amino-6-indolecarboxylate121561-15-767 % similar Indole-6-carboxylic acid methyl ester50820-65-057 % similar Methyl 3,5-dibromo-4-methylbenzoate74896-66-555 % similar Methyl 3-bromo-4-methylbenzoate104901-43-155 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-354 % similar Methyl indole-5-carboxylate1011-65-053 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-252 % similar Methyl 5-bromo-6-hydroxynicotinate381247-99-052 % similar

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

Same formula

Methyl 6-bromoindole-4-carboxylate107650-22-6 N-Acetyl-5-bromo-3-hydroxyindole114165-30-9 5-Bromindoxyl acetate17357-14-1 (5-Bromo-1H-indol-3-yl)acetic acid40432-84-6 N-(2-Bromoethyl)phthalimide574-98-1

Elsewhere

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