Ethyl 3-bromopyridine-4-carboxylate

C₈H₈BrNO₂CAS 13959-01-8230.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₈BrNO₂
Molar mass: 230.06 g/mol
Exact mass: 228.9738 Da
logP: 2.02Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

13959-01-8

SMILES

CCOC(=O)C1=C(C=NC=C1)Br

InChIKey

KAJIRIIDTCRPKH-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3

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Names and synonyms

1 names

Ethyl 3-bromoisonicotinate

Work with Ethyl 3-bromopyridine-4-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 3-bromoisonicotinate59786-31-166 % similar Ethyl 3-aminoisonicotinate14208-83-465 % similar Ethyl 2-bromobenzoate6091-64-165 % similar Diethyl 2,5-dibromobenzene-1,4-dicarboxylate18013-97-359 % similar Ethyl isonicotinate1570-45-255 % similar 1-(3-Bromopyridin-4-yl)ethanone111043-06-254 % similar 4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-654 % similar Ethyl nicotinate614-18-654 % similar

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

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 2-Amino-5-bromo-3-methylbenzoic acid206548-13-2 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5 Methyl 5-bromo-3-methylpicolinate213771-32-5

Elsewhere

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