7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one

C9H6F3N3O — CID 138958344

IUPAC7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C9H6F3N3O/c10-5-1-4(13)3-15-7(16)2-6(8(11)12)14-9(5)15/h1-3,8H,13H2
InChIKeyXRHQWGMXEMOHPH-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.35
Rot. Bonds1

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

7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 138958344) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID138958344
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(F)c2nc(C(F)F)cc(=O)n2c1
InChIInChI=1S/C9H6F3N3O/c10-5-1-4(13)3-15-7(16)2-6(8(11)12)14-9(5)15/h1-3,8H,13H2
InChIKeyXRHQWGMXEMOHPH-UHFFFAOYSA-N
XLogP1.35
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one (CID 138958344) is 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one is Nc1cc(F)c2nc(C(F)F)cc(=O)n2c1.
What is the InChIKey of 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XRHQWGMXEMOHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-5-1-4(13)3-15-7(16)2-6(8(11)12)14-9(5)15/h1-3,8H,13H2.
What are the key properties of 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?
7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 229.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(difluoromethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138958344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).