chempirical

Methyl 2-chloropyrimidine-5-carboxylate

C6H5ClN2O2CAS 287714-35-6172.57 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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-5-(ethoxycarbonyl)pyrimidine89793-12-461 % 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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