3-amino-1-(difluoromethyl)pyridin-2-one

C6H6F2N2O — CID 97354660

IUPAC3-amino-1-(difluoromethyl)pyridin-2-one
SMILESNc1cccn(C(F)F)c1=O
InChIInChI=1S/C6H6F2N2O/c7-6(8)10-3-1-2-4(9)5(10)11/h1-3,6H,9H2
InChIKeyOVJFBQJIWRGUAH-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-1-(difluoromethyl)pyridin-2-one

3-amino-1-(difluoromethyl)pyridin-2-one (PubChem CID 97354660) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-amino-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(difluoromethyl)pyridin-2-one
PubChem CID97354660
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-amino-1-(difluoromethyl)pyridin-2-one
SMILESNc1cccn(C(F)F)c1=O
InChIInChI=1S/C6H6F2N2O/c7-6(8)10-3-1-2-4(9)5(10)11/h1-3,6H,9H2
InChIKeyOVJFBQJIWRGUAH-UHFFFAOYSA-N
XLogP0.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(difluoromethyl)pyridin-2-one (CID 97354660) is 3-amino-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(difluoromethyl)pyridin-2-one is Nc1cccn(C(F)F)c1=O.
What is the InChIKey of 3-amino-1-(difluoromethyl)pyridin-2-one?
The InChIKey is OVJFBQJIWRGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8)10-3-1-2-4(9)5(10)11/h1-3,6H,9H2.
What are the key properties of 3-amino-1-(difluoromethyl)pyridin-2-one?
3-amino-1-(difluoromethyl)pyridin-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 97354660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).