Methyl 2-chloropyrimidine-5-carboxylate

C₆H₅ClN₂O₂CAS 287714-35-6172.57 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅ClN₂O₂
Molar mass: 172.57 g/mol
Exact mass: 172.0040 Da
logP: 0.92Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

287714-35-6

SMILES

COC(=O)C1=CN=C(N=C1)Cl

InChIKey

VJOKXLBQCKCWLV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3

Weigh it out

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

Work with Methyl 2-chloropyrimidine-5-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 6-chloropyridine-3-carboxylate73781-91-664 % similar Methyl pyrimidine-5-carboxylate34253-01-562 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-461 % similar Methyl 6-methoxynicotinate26218-80-459 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-758 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-657 % similar Methyl 5-bromo-6-chloropyridine-3-carboxylate78686-77-857 % similar Methyl 6-methylnicotinate5470-70-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

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