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

C14H12FN3O — CID 13259319

IUPAC1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2cccnc2N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H12FN3O/c1-17-9-10-3-2-8-16-13(10)18(14(17)19)12-6-4-11(15)5-7-12/h2-8H,9H2,1H3
InChIKeyMRTBESPDEBHZFY-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.92
Rot. Bonds1

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

1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 13259319) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID13259319
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2cccnc2N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H12FN3O/c1-17-9-10-3-2-8-16-13(10)18(14(17)19)12-6-4-11(15)5-7-12/h2-8H,9H2,1H3
InChIKeyMRTBESPDEBHZFY-UHFFFAOYSA-N
XLogP2.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one (CID 13259319) is 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one is CN1Cc2cccnc2N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is MRTBESPDEBHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-17-9-10-3-2-8-16-13(10)18(14(17)19)12-6-4-11(15)5-7-12/h2-8H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 257.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 13259319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).