2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H10F2N2O — CID 175964945

IUPAC2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3ccc(F)cc3F)cc(=O)n2c1
InChIInChI=1S/C15H10F2N2O/c1-9-2-5-14-18-13(7-15(20)19(14)8-9)11-4-3-10(16)6-12(11)17/h2-8H,1H3
InChIKeyBHVXCLJRIVBLQU-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.95
Rot. Bonds1

About 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 175964945) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID175964945
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3ccc(F)cc3F)cc(=O)n2c1
InChIInChI=1S/C15H10F2N2O/c1-9-2-5-14-18-13(7-15(20)19(14)8-9)11-4-3-10(16)6-12(11)17/h2-8H,1H3
InChIKeyBHVXCLJRIVBLQU-UHFFFAOYSA-N
XLogP2.95
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 175964945) is 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(-c3ccc(F)cc3F)cc(=O)n2c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BHVXCLJRIVBLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c1-9-2-5-14-18-13(7-15(20)19(14)8-9)11-4-3-10(16)6-12(11)17/h2-8H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175964945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).