6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

C7H8F2N2O2 — CID 119016905

IUPAC6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)cc(C(F)F)c1CO
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H3,10,11,13)
InChIKeySBSBBOJHSXZGBJ-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.39
Rot. Bonds2

About 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 119016905) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID119016905
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)cc(C(F)F)c1CO
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H3,10,11,13)
InChIKeySBSBBOJHSXZGBJ-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

6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 118812463
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118854377
2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 119016905) is 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is Nc1[nH]c(=O)cc(C(F)F)c1CO.
What is the InChIKey of 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is SBSBBOJHSXZGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H3,10,11,13).
What are the key properties of 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
6-amino-4-(difluoromethyl)-5-(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 6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119016905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).