Methyl 5-bromo-3-methylpicolinate

C₈H₈BrNO₂CAS 213771-32-5230.06 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

213771-32-5

SMILES

CC1=CC(=CN=C1C(=O)OC)Br

InChIKey

KZPOANNAYCXMSH-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester

Work with Methyl 5-bromo-3-methylpicolinate

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 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-567 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-067 % similar Methyl 5-bromo-2-chloronicotinate78686-79-055 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-554 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-353 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-451 % similar Methyl 5-bromo-2-methylbenzoate79669-50-451 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-649 % 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 Ethyl 3-bromopyridine-4-carboxylate13959-01-8 2-Amino-5-bromo-3-methylbenzoic acid206548-13-2 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5

Elsewhere

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