3-amino-6-(difluoromethyl)-1H-pyridin-2-one

C6H6F2N2O — CID 97181480

IUPAC3-amino-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-2-1-3(9)6(11)10-4/h1-2,5H,9H2,(H,10,11)
InChIKeyOCDABSPEOSFAOY-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.89
Rot. Bonds1

About 3-amino-6-(difluoromethyl)-1H-pyridin-2-one

3-amino-6-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 97181480) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-1H-pyridin-2-one
PubChem CID97181480
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-amino-6-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-2-1-3(9)6(11)10-4/h1-2,5H,9H2,(H,10,11)
InChIKeyOCDABSPEOSFAOY-UHFFFAOYSA-N
XLogP0.89
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-(difluoromethyl)-1H-pyridin-2-one (CID 97181480) is 3-amino-6-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-(difluoromethyl)-1H-pyridin-2-one is Nc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 3-amino-6-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is OCDABSPEOSFAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-5(8)4-2-1-3(9)6(11)10-4/h1-2,5H,9H2,(H,10,11).
What are the key properties of 3-amino-6-(difluoromethyl)-1H-pyridin-2-one?
3-amino-6-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 97181480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).