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

C18H12ClF3N2O — CID 9026934

IUPAC2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(C(F)(F)F)cc3)cc(=O)n12
InChIInChI=1S/C18H12ClF3N2O/c1-11-3-2-4-16-23-15(10-17(25)24(11)16)14(19)9-12-5-7-13(8-6-12)18(20,21)22/h2-10H,1H3/b14-9-
InChIKeyPPFQBOANIMWLTH-ZROIWOOFSA-N
MW364.75 g/mol
LogP4.76
Rot. Bonds2

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

2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9026934) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9026934
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(C(F)(F)F)cc3)cc(=O)n12
InChIInChI=1S/C18H12ClF3N2O/c1-11-3-2-4-16-23-15(10-17(25)24(11)16)14(19)9-12-5-7-13(8-6-12)18(20,21)22/h2-10H,1H3/b14-9-
InChIKeyPPFQBOANIMWLTH-ZROIWOOFSA-N
XLogP4.76
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 54.76
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-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9026934) is 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(/C(Cl)=C/c3ccc(C(F)(F)F)cc3)cc(=O)n12.
What is the InChIKey of 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PPFQBOANIMWLTH-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-11-3-2-4-16-23-15(10-17(25)24(11)16)14(19)9-12-5-7-13(8-6-12)18(20,21)22/h2-10H,1H3/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.75 g/mol, XLogP of 4.76, 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-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).