Methyl 5-bromopyrimidine-2-carboxylate

C₆H₅BrN₂O₂CAS 89581-38-4217.02 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
logP: 1.03Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89581-38-4

SMILES

COC(=O)C1=NC=C(C=N1)Br

InChIKey

XILAKTMDKMVJQV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl-5-bromo-2 pyrimidine carboxylate

Work with Methyl 5-bromopyrimidine-2-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

2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)76196-80-065 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-362 % similar Methyl 2-pyrimidinecarboxylate34253-03-758 % similar Methyl 5-bromo-3-methylpicolinate213771-32-557 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-555 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-055 % similar Methyl 5-bromo-2-chloronicotinate78686-79-055 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0

Elsewhere

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