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

C9H5F3N2O — CID 170269142

IUPAC9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(C(F)(F)F)cccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-2-1-5-14-7(15)3-4-13-8(6)14/h1-5H
InChIKeyPDBJZAUTEIKQOW-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.71
Rot. Bonds

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

9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170269142) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170269142
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(C(F)(F)F)cccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-2-1-5-14-7(15)3-4-13-8(6)14/h1-5H
InChIKeyPDBJZAUTEIKQOW-UHFFFAOYSA-N
XLogP1.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170269142) is 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(C(F)(F)F)cccn12.
What is the InChIKey of 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PDBJZAUTEIKQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)6-2-1-5-14-7(15)3-4-13-8(6)14/h1-5H.
What are the key properties of 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 214.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170269142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).