7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one

C14H9FN2OS — CID 135045743

IUPAC7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)cnc2ccc(F)cn12
InChIInChI=1S/C14H9FN2OS/c15-10-6-7-13-16-8-12(14(18)17(13)9-10)19-11-4-2-1-3-5-11/h1-9H
InChIKeyFNIYXNOJFOFVEC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.98
Rot. Bonds2

About 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135045743) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135045743
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)cnc2ccc(F)cn12
InChIInChI=1S/C14H9FN2OS/c15-10-6-7-13-16-8-12(14(18)17(13)9-10)19-11-4-2-1-3-5-11/h1-9H
InChIKeyFNIYXNOJFOFVEC-UHFFFAOYSA-N
XLogP2.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (CID 135045743) is 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is O=c1c(Sc2ccccc2)cnc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FNIYXNOJFOFVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-6-7-13-16-8-12(14(18)17(13)9-10)19-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135045743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).