Methyl 2-bromo-6-methyl-4-pyridinecarboxylate

C₈H₈BrNO₂CAS 884494-71-7230.06 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: 1.94Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

884494-71-7

SMILES

COC(=O)c1cc(C)nc(Br)c1

InChIKey

HTGDXQVCBISJRX-UHFFFAOYSA-N

InChI

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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

4-Pyridinecarboxylic acid, 2-bromo-6-methyl-, methyl ester
2-Bromo-6-methylisonicotinic acid methyl ester
Methyl 2-bromo-6-methylisonicotinate

Work with Methyl 2-bromo-6-methyl-4-pyridinecarboxylate

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 3,5-dibromobenzoate51329-15-854 % similar Dimethyl 5-bromoisophthalate51760-21-554 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-453 % similar Methyl 3,5-dibromo-4-methylbenzoate74896-66-553 % similar Methyl 2,6-dichloroisonicotinate42521-09-550 % similar Methyl 3,5-dimethoxybenzoate2150-37-049 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-348 % similar Methyl 6-methylnicotinate5470-70-248 % 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 Methyl 2-amino-5-bromobenzoate52727-57-8 4-Nitrophenethyl bromide5339-26-4

Elsewhere

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