3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one

C7H8F2N2O — CID 130104601

IUPAC3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(N)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,10H2,1H3,(H,11,12)
InChIKeyCYCUIKWFKNPDQL-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.20
Rot. Bonds1

About 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one

3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 130104601) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID130104601
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(N)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,10H2,1H3,(H,11,12)
InChIKeyCYCUIKWFKNPDQL-UHFFFAOYSA-N
XLogP1.20
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.20
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)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 130104601) is 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1cc(N)c(=O)[nH]c1C(F)F.
What is the InChIKey of 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is CYCUIKWFKNPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 174.15 g/mol, XLogP of 1.20, 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)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).