3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C15H8ClF3N2O — CID 24993438

IUPAC3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C15H8ClF3N2O/c16-10-6-4-9(5-7-10)12-13(15(17,18)19)20-11-3-1-2-8-21(11)14(12)22/h1-8H
InChIKeyYCAFOCCLIJNDQW-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.03
Rot. Bonds1

About 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24993438) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24993438
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C15H8ClF3N2O/c16-10-6-4-9(5-7-10)12-13(15(17,18)19)20-11-3-1-2-8-21(11)14(12)22/h1-8H
InChIKeyYCAFOCCLIJNDQW-UHFFFAOYSA-N
XLogP4.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 24993438) is 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YCAFOCCLIJNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-10-6-4-9(5-7-10)12-13(15(17,18)19)20-11-3-1-2-8-21(11)14(12)22/h1-8H.
What are the key properties of 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 324.69 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).