Methyl 6-chloropyrimidine-4-carboxylate

C6H5ClN2O2CAS 6627-22-1172.57 g/mol

Open in Covalent MOL file
OONNCl
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
6627-22-1
SMILES
COC(=O)C1=CC(=NC=N1)Cl
InChIKey
IAEUEOUJKNGPMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-5(7)9-3-8-4/h2-3H,1H3

Weigh it out

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

Work with Methyl 6-chloropyrimidine-4-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 5-chloropyrazine-2-carboxylate33332-25-158 % similar Methyl 4-chloropicolinate24484-93-355 % similar Methyl 2-chloroisonicotinate58481-11-155 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-854 % similar Methyl 6-chloropicolinate6636-55-154 % similar Methyl4,6-dichloronicotinate65973-52-654 % similar 6-Chloro-4-pyrimidinecarboxylic acid37131-91-253 % similar Methyl 2,6-dichloroisonicotinate42521-09-553 % 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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