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

C16H10F4N2O — CID 90666047

IUPAC3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2O/c17-12-5-4-10(13(8-12)16(18,19)20)7-11-9-22-6-2-1-3-14(22)21-15(11)23/h1-6,8-9H,7H2
InChIKeyHHFQAEIYIRDMAU-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.44
Rot. Bonds2

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

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666047) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID90666047
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2O/c17-12-5-4-10(13(8-12)16(18,19)20)7-11-9-22-6-2-1-3-14(22)21-15(11)23/h1-6,8-9H,7H2
InChIKeyHHFQAEIYIRDMAU-UHFFFAOYSA-N
XLogP3.44
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
7-Chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666048
9-Amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666161
9-Amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666162
2-Hydroxy-3-phenyl-1-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidin-1-ium-4-one
CID 44156417
3-(p-(Trifluoromethyl)phenyl)-4H-pyrido[1,2-a]pyrimidine-4-one
CID 56590882
N-[1-(cyclopropylmethyl)pyridin-2-ylidene]-5-fluoro-2-(trifluoromethyl)benzamide
CID 59865922
N-[1-(cyclopropylmethyl)pyridin-2-ylidene]-3-fluoro-2-(trifluoromethyl)benzamide
CID 59866011
2-Hydroxy-1-propyl-3-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-4-one
CID 68736332

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (CID 90666047) is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1Cc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is HHFQAEIYIRDMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-12-5-4-10(13(8-12)16(18,19)20)7-11-9-22-6-2-1-3-14(22)21-15(11)23/h1-6,8-9H,7H2.
What are the key properties of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 322.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).