7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C15H10F2N2O2 — CID 146421499

IUPAC7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cccc(F)c2)c(CO)nc2ccc(F)cn12
InChIInChI=1S/C15H10F2N2O2/c16-10-3-1-2-9(6-10)14-12(8-20)18-13-5-4-11(17)7-19(13)15(14)21/h1-7,20H,8H2
InChIKeyFEGCLPONHTZFFW-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.13
Rot. Bonds2

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

7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146421499) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID146421499
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cccc(F)c2)c(CO)nc2ccc(F)cn12
InChIInChI=1S/C15H10F2N2O2/c16-10-3-1-2-9(6-10)14-12(8-20)18-13-5-4-11(17)7-19(13)15(14)21/h1-7,20H,8H2
InChIKeyFEGCLPONHTZFFW-UHFFFAOYSA-N
XLogP2.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 146421499) is 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2cccc(F)c2)c(CO)nc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FEGCLPONHTZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-10-3-1-2-9(6-10)14-12(8-20)18-13-5-4-11(17)7-19(13)15(14)21/h1-7,20H,8H2.
What are the key properties of 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 288.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146421499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).