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

C9H4BrF3N2O — CID 86723086

IUPAC9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc2c(Br)cccn12
InChIInChI=1S/C9H4BrF3N2O/c10-5-2-1-3-15-7(16)4-6(9(11,12)13)14-8(5)15/h1-4H
InChIKeyOAVAEUDCDATINA-UHFFFAOYSA-N
MW293.04 g/mol
LogP2.48
Rot. Bonds

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

9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 86723086) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID86723086
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc2c(Br)cccn12
InChIInChI=1S/C9H4BrF3N2O/c10-5-2-1-3-15-7(16)4-6(9(11,12)13)14-8(5)15/h1-4H
InChIKeyOAVAEUDCDATINA-UHFFFAOYSA-N
XLogP2.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 86723086) is 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)F)nc2c(Br)cccn12.
What is the InChIKey of 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OAVAEUDCDATINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-5-2-1-3-15-7(16)4-6(9(11,12)13)14-8(5)15/h1-4H.
What are the key properties of 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.04 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86723086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).