5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one

C10H14F2N2O — CID 165472725

IUPAC5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one
SMILESCC(CC(F)F)Cn1cc(N)ccc1=O
InChIInChI=1S/C10H14F2N2O/c1-7(4-9(11)12)5-14-6-8(13)2-3-10(14)15/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyMHJXDOQIWAGGGL-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.72
Rot. Bonds4

About 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one

5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one (PubChem CID 165472725) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one
PubChem CID165472725
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one
SMILESCC(CC(F)F)Cn1cc(N)ccc1=O
InChIInChI=1S/C10H14F2N2O/c1-7(4-9(11)12)5-14-6-8(13)2-3-10(14)15/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyMHJXDOQIWAGGGL-UHFFFAOYSA-N
XLogP1.72
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one (CID 165472725) is 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one is CC(CC(F)F)Cn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one?
The InChIKey is MHJXDOQIWAGGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7(4-9(11)12)5-14-6-8(13)2-3-10(14)15/h2-3,6-7,9H,4-5,13H2,1H3.
What are the key properties of 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one?
5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one has a molecular weight of 216.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,4-difluoro-2-methylbutyl)pyridin-2-one is sourced from PubChem (CID 165472725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).