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

C7H8F2N2O2 — CID 130104544

IUPAC6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1cc(C(F)F)c(=O)[nH]c1N
InChIInChI=1S/C7H8F2N2O2/c1-13-4-2-3(5(8)9)7(12)11-6(4)10/h2,5H,1H3,(H3,10,11,12)
InChIKeyIKPUMZAZGBODLQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.90
Rot. Bonds2

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

6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one (PubChem CID 130104544) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
PubChem CID130104544
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1cc(C(F)F)c(=O)[nH]c1N
InChIInChI=1S/C7H8F2N2O2/c1-13-4-2-3(5(8)9)7(12)11-6(4)10/h2,5H,1H3,(H3,10,11,12)
InChIKeyIKPUMZAZGBODLQ-UHFFFAOYSA-N
XLogP0.90
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130104763
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
6-chloro-3-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130102532
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one (CID 130104544) is 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one is COc1cc(C(F)F)c(=O)[nH]c1N.
What is the InChIKey of 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
The InChIKey is IKPUMZAZGBODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-4-2-3(5(8)9)7(12)11-6(4)10/h2,5H,1H3,(H3,10,11,12).
What are the key properties of 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one?
6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).