2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C13H12ClF3N2O — CID 165479024

IUPAC2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C13H12ClF3N2O/c1-7(2)5-9-11(14)18-10-6-8(13(15,16)17)3-4-19(10)12(9)20/h3-4,6-7H,5H2,1-2H3
InChIKeyNVVTYFPCNIQIKT-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.57
Rot. Bonds2

About 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 165479024) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID165479024
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C13H12ClF3N2O/c1-7(2)5-9-11(14)18-10-6-8(13(15,16)17)3-4-19(10)12(9)20/h3-4,6-7H,5H2,1-2H3
InChIKeyNVVTYFPCNIQIKT-UHFFFAOYSA-N
XLogP3.57
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 165479024) is 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CC(C)Cc1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O.
What is the InChIKey of 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NVVTYFPCNIQIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-7(2)5-9-11(14)18-10-6-8(13(15,16)17)3-4-19(10)12(9)20/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 304.70 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methylpropyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 165479024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).