2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

C14H9ClFN3O — CID 142304252

IUPAC2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c2nc(Cl)ncc12
InChIInChI=1S/C14H9ClFN3O/c1-8-6-12(20)19(10-4-2-9(16)3-5-10)13-11(8)7-17-14(15)18-13/h2-7H,1H3
InChIKeyCCOZGEJEJSGRLM-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.88
Rot. Bonds1

About 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 142304252) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID142304252
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c2nc(Cl)ncc12
InChIInChI=1S/C14H9ClFN3O/c1-8-6-12(20)19(10-4-2-9(16)3-5-10)13-11(8)7-17-14(15)18-13/h2-7H,1H3
InChIKeyCCOZGEJEJSGRLM-UHFFFAOYSA-N
XLogP2.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 142304252) is 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(-c2ccc(F)cc2)c2nc(Cl)ncc12.
What is the InChIKey of 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CCOZGEJEJSGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-6-12(20)19(10-4-2-9(16)3-5-10)13-11(8)7-17-14(15)18-13/h2-7H,1H3.
What are the key properties of 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 289.70 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-fluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142304252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).