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

C9H6F2N2O — CID 170269149

IUPAC9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(C(F)F)cccn12
InChIInChI=1S/C9H6F2N2O/c10-8(11)6-2-1-5-13-7(14)3-4-12-9(6)13/h1-5,8H
InChIKeyHNIHAPCXIHGFHK-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.63
Rot. Bonds1

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

9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170269149) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170269149
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2c(C(F)F)cccn12
InChIInChI=1S/C9H6F2N2O/c10-8(11)6-2-1-5-13-7(14)3-4-12-9(6)13/h1-5,8H
InChIKeyHNIHAPCXIHGFHK-UHFFFAOYSA-N
XLogP1.63
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170269149) is 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2c(C(F)F)cccn12.
What is the InChIKey of 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HNIHAPCXIHGFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-8(11)6-2-1-5-13-7(14)3-4-12-9(6)13/h1-5,8H.
What are the key properties of 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 196.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170269149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).