7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one

C16H9ClF4N2O — CID 90666048

IUPAC7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N2O/c17-11-2-4-14-22-15(24)10(7-23(14)8-11)5-9-1-3-12(18)6-13(9)16(19,20)21/h1-4,6-8H,5H2
InChIKeyVCNFIZRTTYVTEI-UHFFFAOYSA-N
MW356.71 g/mol
LogP4.10
Rot. Bonds2

About 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one

7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666048) has the molecular formula C16H9ClF4N2O and a molecular weight of 356.71 g/mol. Its IUPAC name is 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID90666048
Molecular FormulaC16H9ClF4N2O
Molecular Weight356.71 g/mol
Exact Mass356.03
IUPAC Name7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N2O/c17-11-2-4-14-22-15(24)10(7-23(14)8-11)5-9-1-3-12(18)6-13(9)16(19,20)21/h1-4,6-8H,5H2
InChIKeyVCNFIZRTTYVTEI-UHFFFAOYSA-N
XLogP4.10
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (CID 90666048) is 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is VCNFIZRTTYVTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N2O/c17-11-2-4-14-22-15(24)10(7-23(14)8-11)5-9-1-3-12(18)6-13(9)16(19,20)21/h1-4,6-8H,5H2.
What are the key properties of 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 356.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).