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

C13H8FN3O — CID 150007122

IUPAC4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H8FN3O/c14-10-6-2-1-4-8(10)11-9-5-3-7-15-12(9)17-13(18)16-11/h1-7H,(H,15,16,17,18)
InChIKeyDCNDJLIFUWPAKG-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.12
Rot. Bonds1

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

4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 150007122) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID150007122
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H8FN3O/c14-10-6-2-1-4-8(10)11-9-5-3-7-15-12(9)17-13(18)16-11/h1-7H,(H,15,16,17,18)
InChIKeyDCNDJLIFUWPAKG-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one (CID 150007122) is 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc2ncccc2c(-c2ccccc2F)[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is DCNDJLIFUWPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-10-6-2-1-4-8(10)11-9-5-3-7-15-12(9)17-13(18)16-11/h1-7H,(H,15,16,17,18).
What are the key properties of 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 241.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 150007122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).