1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one

C13H8FN3O — CID 901921

IUPAC1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1ncn(-c2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C13H8FN3O/c14-9-3-5-10(6-4-9)17-8-16-13(18)11-2-1-7-15-12(11)17/h1-8H
InChIKeyPXHQFAMOKKTZPU-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.92
Rot. Bonds1

About 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one

1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 901921) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID901921
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1ncn(-c2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C13H8FN3O/c14-9-3-5-10(6-4-9)17-8-16-13(18)11-2-1-7-15-12(11)17/h1-8H
InChIKeyPXHQFAMOKKTZPU-UHFFFAOYSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one (CID 901921) is 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one is O=c1ncn(-c2ccc(F)cc2)c2ncccc12.
What is the InChIKey of 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PXHQFAMOKKTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-9-3-5-10(6-4-9)17-8-16-13(18)11-2-1-7-15-12(11)17/h1-8H.
What are the key properties of 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one?
1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 241.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 901921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).