2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H11FN2O — CID 10515084

IUPAC2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3cccc(F)c3)cc(=O)n2c1
InChIInChI=1S/C15H11FN2O/c1-10-5-6-14-17-13(8-15(19)18(14)9-10)11-3-2-4-12(16)7-11/h2-9H,1H3
InChIKeyFOLAQMAXHUURHC-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.81
Rot. Bonds1

About 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10515084) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10515084
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3cccc(F)c3)cc(=O)n2c1
InChIInChI=1S/C15H11FN2O/c1-10-5-6-14-17-13(8-15(19)18(14)9-10)11-3-2-4-12(16)7-11/h2-9H,1H3
InChIKeyFOLAQMAXHUURHC-UHFFFAOYSA-N
XLogP2.81
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 10515084) is 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(-c3cccc(F)c3)cc(=O)n2c1.
What is the InChIKey of 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FOLAQMAXHUURHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-5-6-14-17-13(8-15(19)18(14)9-10)11-3-2-4-12(16)7-11/h2-9H,1H3.
What are the key properties of 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 254.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).