3-amino-1-(2,2-difluoroethyl)pyridin-4-one

C7H8F2N2O — CID 82991866

IUPAC3-amino-1-(2,2-difluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)F)ccc1=O
InChIInChI=1S/C7H8F2N2O/c8-7(9)4-11-2-1-6(12)5(10)3-11/h1-3,7H,4,10H2
InChIKeyJQDCFDXWAZPKGX-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-1-(2,2-difluoroethyl)pyridin-4-one

3-amino-1-(2,2-difluoroethyl)pyridin-4-one (PubChem CID 82991866) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)pyridin-4-one
PubChem CID82991866
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-amino-1-(2,2-difluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)F)ccc1=O
InChIInChI=1S/C7H8F2N2O/c8-7(9)4-11-2-1-6(12)5(10)3-11/h1-3,7H,4,10H2
InChIKeyJQDCFDXWAZPKGX-UHFFFAOYSA-N
XLogP0.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)pyridin-4-one (CID 82991866) is 3-amino-1-(2,2-difluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)pyridin-4-one is Nc1cn(CC(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)pyridin-4-one?
The InChIKey is JQDCFDXWAZPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)4-11-2-1-6(12)5(10)3-11/h1-3,7H,4,10H2.
What are the key properties of 3-amino-1-(2,2-difluoroethyl)pyridin-4-one?
3-amino-1-(2,2-difluoroethyl)pyridin-4-one has a molecular weight of 174.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)pyridin-4-one is sourced from PubChem (CID 82991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).