5-amino-1-(2,2-difluoroethyl)pyridin-2-one

C7H8F2N2O — CID 60922538

IUPAC5-amino-1-(2,2-difluoroethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC(F)F)c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4,10H2
InChIKeyBTKLAKUWGRPOTQ-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.70
Rot. Bonds2

About 5-amino-1-(2,2-difluoroethyl)pyridin-2-one

5-amino-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 60922538) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-amino-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID60922538
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name5-amino-1-(2,2-difluoroethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC(F)F)c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4,10H2
InChIKeyBTKLAKUWGRPOTQ-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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Related Compounds

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5-Amino-1-methyl-1,2-dihydropyridin-2-one hydrochloride
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3-Amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2,2-difluoroethyl)pyridin-2-one (CID 60922538) is 5-amino-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2,2-difluoroethyl)pyridin-2-one is Nc1ccc(=O)n(CC(F)F)c1.
What is the InChIKey of 5-amino-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is BTKLAKUWGRPOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4,10H2.
What are the key properties of 5-amino-1-(2,2-difluoroethyl)pyridin-2-one?
5-amino-1-(2,2-difluoroethyl)pyridin-2-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 5-amino-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 60922538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).