methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate

C12H7Cl2FN2O2 — CID 172612172

IUPACmethyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2F)nc(Cl)n1
InChIInChI=1S/C12H7Cl2FN2O2/c1-19-11(18)10-5-9(16-12(14)17-10)7-3-2-6(13)4-8(7)15/h2-5H,1H3
InChIKeyHTVQVCANHMXQPR-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.38
Rot. Bonds2

About methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate

methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate (PubChem CID 172612172) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate
PubChem CID172612172
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Namemethyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2F)nc(Cl)n1
InChIInChI=1S/C12H7Cl2FN2O2/c1-19-11(18)10-5-9(16-12(14)17-10)7-3-2-6(13)4-8(7)15/h2-5H,1H3
InChIKeyHTVQVCANHMXQPR-UHFFFAOYSA-N
XLogP3.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 44632919
6-(3,4-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633034
6-(3-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 44633650
6-(3-Chloro-4-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 67218064
6-(4-Chloro-3-fluorophenyl)pyrimidine-4-carboxylic acid
CID 71282673
6-(3,4-Dichlorophenyl)-2-methylpyrimidine-4-carboxylic acid
CID 24277353
6-(3,5-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633035
6-(3,4-Dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid
CID 58367510
6-(4-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 71282637
6-(4-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 71282789
6-(3,4-Dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid
CID 71282795
2-Chloro-6-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 134149072

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate (CID 172612172) is methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2F)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate?
The InChIKey is HTVQVCANHMXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c1-19-11(18)10-5-9(16-12(14)17-10)7-3-2-6(13)4-8(7)15/h2-5H,1H3.
What are the key properties of methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate?
methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate has a molecular weight of 301.10 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 172612172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).