2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H12ClFN2O — CID 9032441

IUPAC2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(/C(Cl)=C/c3cccc(F)c3)cc(=O)n2c1
InChIInChI=1S/C17H12ClFN2O/c1-11-5-6-16-20-15(9-17(22)21(16)10-11)14(18)8-12-3-2-4-13(19)7-12/h2-10H,1H3/b14-8-
InChIKeyFKWIJGNLZGRKOU-ZSOIEALJSA-N
MW314.75 g/mol
LogP3.88
Rot. Bonds2

About 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9032441) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9032441
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(/C(Cl)=C/c3cccc(F)c3)cc(=O)n2c1
InChIInChI=1S/C17H12ClFN2O/c1-11-5-6-16-20-15(9-17(22)21(16)10-11)14(18)8-12-3-2-4-13(19)7-12/h2-10H,1H3/b14-8-
InChIKeyFKWIJGNLZGRKOU-ZSOIEALJSA-N
XLogP3.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 9032441) is 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(/C(Cl)=C/c3cccc(F)c3)cc(=O)n2c1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FKWIJGNLZGRKOU-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c1-11-5-6-16-20-15(9-17(22)21(16)10-11)14(18)8-12-3-2-4-13(19)7-12/h2-10H,1H3/b14-8-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9032441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).