2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C9H4ClF3N2O — CID 66825612

IUPAC2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C9H4ClF3N2O/c10-6-4-7(16)15-3-1-2-5(8(15)14-6)9(11,12)13/h1-4H
InChIKeyBRYSVOOHBBOXQF-UHFFFAOYSA-N
MW248.59 g/mol
LogP2.37
Rot. Bonds

About 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 66825612) has the molecular formula C9H4ClF3N2O and a molecular weight of 248.59 g/mol. Its IUPAC name is 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID66825612
Molecular FormulaC9H4ClF3N2O
Molecular Weight248.59 g/mol
Exact Mass248.00
IUPAC Name2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C9H4ClF3N2O/c10-6-4-7(16)15-3-1-2-5(8(15)14-6)9(11,12)13/h1-4H
InChIKeyBRYSVOOHBBOXQF-UHFFFAOYSA-N
XLogP2.37
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.59
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 66825612) is 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cl)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BRYSVOOHBBOXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O/c10-6-4-7(16)15-3-1-2-5(8(15)14-6)9(11,12)13/h1-4H.
What are the key properties of 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 248.59 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66825612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).