2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H11ClF3N3O2 — CID 2085635

IUPAC2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)n2c1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-2-3-13-21-11(5-14(24)23(13)6-9)8-22-7-10(16(18,19)20)4-12(17)15(22)25/h2-7H,8H2,1H3
InChIKeyDZRKOLXRQVIUFI-UHFFFAOYSA-N
MW369.73 g/mol
LogP2.89
Rot. Bonds2

About 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2085635) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2085635
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)n2c1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-2-3-13-21-11(5-14(24)23(13)6-9)8-22-7-10(16(18,19)20)4-12(17)15(22)25/h2-7H,8H2,1H3
InChIKeyDZRKOLXRQVIUFI-UHFFFAOYSA-N
XLogP2.89
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
7-Bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2649456
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409659
3-Chloro-2,8-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 13155591
7-Bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 4845600
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8410151
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 8410171
7-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42926968
9-Methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 43058210
2-[[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51284626

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 2085635) is 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)n2c1.
What is the InChIKey of 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DZRKOLXRQVIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c1-9-2-3-13-21-11(5-14(24)23(13)6-9)8-22-7-10(16(18,19)20)4-12(17)15(22)25/h2-7H,8H2,1H3.
What are the key properties of 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2085635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).