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

C15H9ClF3N3O2 — CID 51293693

IUPAC7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyRAWCDFALRZBCTG-UHFFFAOYSA-N
MW355.70 g/mol
LogP2.58
Rot. Bonds2

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

7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51293693) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51293693
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyRAWCDFALRZBCTG-UHFFFAOYSA-N
XLogP2.58
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51293693) is 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RAWCDFALRZBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2.
What are the key properties of 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51293693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).