5-Bromo-2-methylpyrimidine-4-carboxylic acid

C₆H₅BrN₂O₂CAS 100707-39-9217.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
logP: 1.25Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100707-39-9

SMILES

CC1=NC=C(C(=N1)C(=O)O)Br

InChIKey

MDERWSRHRJUWNS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-methyl-4-pyrimidinecarboxylic acid

Work with 5-Bromo-2-methylpyrimidine-4-carboxylic acid

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

5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid50593-92-562 % similar 2-Methylpyrimidine-5-carboxylic acid5194-32-151 % similar 3-Bromo-6-chloropyridine-2-carboxylic acid929000-66-848 % similar 3-Bromopyridine-2-carboxylic acid30683-23-947 % similar 5-Bromo-2-carboxy-3-methylpyridine886365-43-146 % similar 2-Methyl-4-pyrimidinecarboxylic acid13627-49-146 % similar 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-444 % similar 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Bromo-6-methyl-3-nitropyridine374633-31-5

Elsewhere

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