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

C7H8F2N2O2 — CID 130104849

IUPAC5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(=O)[nH]c1CO
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-4(10)5(2-12)11-7(3)13/h1,6,12H,2,10H2,(H,11,13)
InChIKeyXOBUGCTUKHRWTK-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.39
Rot. Bonds2

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

5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130104849) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130104849
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(=O)[nH]c1CO
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-4(10)5(2-12)11-7(3)13/h1,6,12H,2,10H2,(H,11,13)
InChIKeyXOBUGCTUKHRWTK-UHFFFAOYSA-N
XLogP0.39
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130104856
3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
CID 19770729
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
methyl 2-[3-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134684975
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130104763
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 118812463
6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
CID 130104544

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one (CID 130104849) is 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one is Nc1cc(C(F)F)c(=O)[nH]c1CO.
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is XOBUGCTUKHRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)3-1-4(10)5(2-12)11-7(3)13/h1,6,12H,2,10H2,(H,11,13).
What are the key properties of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one?
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).