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

C8H10F2N2O — CID 165479590

IUPAC3-amino-1-(2,2-difluoropropyl)pyridin-4-one
SMILESCC(F)(F)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H10F2N2O/c1-8(9,10)5-12-3-2-7(13)6(11)4-12/h2-4H,5,11H2,1H3
InChIKeyUDLWWAGIHNGBBY-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.09
Rot. Bonds2

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

3-amino-1-(2,2-difluoropropyl)pyridin-4-one (PubChem CID 165479590) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoropropyl)pyridin-4-one
PubChem CID165479590
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-amino-1-(2,2-difluoropropyl)pyridin-4-one
SMILESCC(F)(F)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H10F2N2O/c1-8(9,10)5-12-3-2-7(13)6(11)4-12/h2-4H,5,11H2,1H3
InChIKeyUDLWWAGIHNGBBY-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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-difluoropropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2,2-difluoropropyl)pyridin-4-one (CID 165479590) is 3-amino-1-(2,2-difluoropropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2,2-difluoropropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2,2-difluoropropyl)pyridin-4-one is CC(F)(F)Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(2,2-difluoropropyl)pyridin-4-one?
The InChIKey is UDLWWAGIHNGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-8(9,10)5-12-3-2-7(13)6(11)4-12/h2-4H,5,11H2,1H3.
What are the key properties of 3-amino-1-(2,2-difluoropropyl)pyridin-4-one?
3-amino-1-(2,2-difluoropropyl)pyridin-4-one has a molecular weight of 188.18 g/mol, XLogP of 1.09, 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-difluoropropyl)pyridin-4-one is sourced from PubChem (CID 165479590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).