3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C15H10ClF3N2O — CID 141326779

IUPAC3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12
InChIInChI=1S/C15H9F3N2O.ClH/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21;/h1-9H;1H
InChIKeyMDVUUZBSPDLAET-UHFFFAOYSA-N
MW326.71 g/mol
LogP3.80
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 141326779) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID141326779
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12
InChIInChI=1S/C15H9F3N2O.ClH/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21;/h1-9H;1H
InChIKeyMDVUUZBSPDLAET-UHFFFAOYSA-N
XLogP3.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 141326779) is 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is MDVUUZBSPDLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O.ClH/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21;/h1-9H;1H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 326.71 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 141326779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).