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

C10H7F3N2O — CID 148851267

IUPAC2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-6(11)10-14-7(9(12)13)3-8(16)15(10)4-5/h2-4,9H,1H3
InChIKeyOXMMXWMLJBXQEM-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.08
Rot. Bonds1

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

2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 148851267) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID148851267
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-6(11)10-14-7(9(12)13)3-8(16)15(10)4-5/h2-4,9H,1H3
InChIKeyOXMMXWMLJBXQEM-UHFFFAOYSA-N
XLogP2.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.08
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-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 148851267) is 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(F)c2nc(C(F)F)cc(=O)n2c1.
What is the InChIKey of 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OXMMXWMLJBXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-2-6(11)10-14-7(9(12)13)3-8(16)15(10)4-5/h2-4,9H,1H3.
What are the key properties of 2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 228.17 g/mol, XLogP of 2.08, 1 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-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 148851267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).