5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one

C8H10F2N2O — CID 79354919

IUPAC5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC(F)F)cc1N
InChIInChI=1S/C8H10F2N2O/c1-5-2-8(13)12(3-6(5)11)4-7(9)10/h2-3,7H,4,11H2,1H3
InChIKeyIKHAJSAEOMDGLH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.00
Rot. Bonds2

About 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one

5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one (PubChem CID 79354919) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one
PubChem CID79354919
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC(F)F)cc1N
InChIInChI=1S/C8H10F2N2O/c1-5-2-8(13)12(3-6(5)11)4-7(9)10/h2-3,7H,4,11H2,1H3
InChIKeyIKHAJSAEOMDGLH-UHFFFAOYSA-N
XLogP1.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one (CID 79354919) is 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CC(F)F)cc1N.
What is the InChIKey of 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one?
The InChIKey is IKHAJSAEOMDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-2-8(13)12(3-6(5)11)4-7(9)10/h2-3,7H,4,11H2,1H3.
What are the key properties of 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one?
5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one has a molecular weight of 188.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-difluoroethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 79354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).