2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C12H11F3N2O — CID 154932858

IUPAC2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C12H11F3N2O/c1-6(2)7-3-8(13)12-16-9(11(14)15)4-10(18)17(12)5-7/h3-6,11H,1-2H3
InChIKeyWNJGZIINUZWFFQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.89
Rot. Bonds2

About 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932858) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID154932858
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C12H11F3N2O/c1-6(2)7-3-8(13)12-16-9(11(14)15)4-10(18)17(12)5-7/h3-6,11H,1-2H3
InChIKeyWNJGZIINUZWFFQ-UHFFFAOYSA-N
XLogP2.89
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 154932858) is 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1cc(F)c2nc(C(F)F)cc(=O)n2c1.
What is the InChIKey of 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WNJGZIINUZWFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-6(2)7-3-8(13)12-16-9(11(14)15)4-10(18)17(12)5-7/h3-6,11H,1-2H3.
What are the key properties of 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 256.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).