chempirical

Ethyl 5-bromo-2-methylpyridine-3-carboxylate

C9H10BrNO2CAS 129477-21-0244.09 g/mol

Open in Covalent MOL file
OONBr
Aryl halideEster

Properties

Molecular formula
C9H10BrNO2
Molar mass
244.09 g/mol
Exact mass
242.9895 Da
logP
2.33Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
129477-21-0
SMILES
CCOC(=O)C1=C(N=CC(=C1)Br)C
InChIKey
QVKPPFGWQMCQCI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-4-7(10)5-11-6(8)2/h4-5H,3H2,1-2H3

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Names and synonyms

1 names
  • 5-Bromo-2-methyl-nicotinic acid ethyl ester

Work with Ethyl 5-bromo-2-methylpyridine-3-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

Ethyl 2-methyl-3-pyridinecarboxylate1721-26-256 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-653 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-450 % similar Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate885276-93-750 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-248 % similar Ethyl 3-bromobenzoate24398-88-748 % similar Ethyl 4-bromobenzoate5798-75-448 % similar 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-147 % similar

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

Same formula

Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-9 Dl-beta-(3-bromophenyl)alanine117391-50-1 4-Bromophenylalanine14091-15-7 (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-3 2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine49669-14-9 3-Bromo-D-phenylalanine99295-78-0

Elsewhere

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