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

C7H8F2N2O2 — CID 130104856

IUPAC3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1cc(CO)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1,6,12H,2,10H2,(H,11,13)
InChIKeyINSALFZMWBSIEE-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.39
Rot. Bonds2

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

3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130104856) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130104856
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1cc(CO)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1,6,12H,2,10H2,(H,11,13)
InChIKeyINSALFZMWBSIEE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093512
6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085380
3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
CID 19770729
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101701
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
CID 133106232
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084556
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 130104856) is 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is Nc1cc(CO)c(C(F)F)[nH]c1=O.
What is the InChIKey of 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is INSALFZMWBSIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1,6,12H,2,10H2,(H,11,13).
What are the key properties of 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
3-amino-6-(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 3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).