2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H11ClF2N2O — CID 9027214

IUPAC2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(F)c(F)c3)cc(=O)n12
InChIInChI=1S/C17H11ClF2N2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)12(18)7-11-5-6-13(19)14(20)8-11/h2-9H,1H3/b12-7-
InChIKeyZIINSOBEBMALGL-GHXNOFRVSA-N
MW332.74 g/mol
LogP4.02
Rot. Bonds2

About 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9027214) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9027214
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(F)c(F)c3)cc(=O)n12
InChIInChI=1S/C17H11ClF2N2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)12(18)7-11-5-6-13(19)14(20)8-11/h2-9H,1H3/b12-7-
InChIKeyZIINSOBEBMALGL-GHXNOFRVSA-N
XLogP4.02
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.02
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-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9027214) is 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(/C(Cl)=C/c3ccc(F)c(F)c3)cc(=O)n12.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZIINSOBEBMALGL-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)12(18)7-11-5-6-13(19)14(20)8-11/h2-9H,1H3/b12-7-.
What are the key properties of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 332.74 g/mol, XLogP of 4.02, 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-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9027214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).