4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one

C7H8F2N2O2 — CID 130100139

IUPAC4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)F)c1O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)3(2-10)1-4(12)11-5/h1,7,13H,2,10H2,(H,11,12)
InChIKeyGVNFMEQQQFKFMH-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds2

About 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one

4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (PubChem CID 130100139) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
PubChem CID130100139
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)F)c1O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)3(2-10)1-4(12)11-5/h1,7,13H,2,10H2,(H,11,12)
InChIKeyGVNFMEQQQFKFMH-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (CID 130100139) is 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is NCc1cc(=O)[nH]c(C(F)F)c1O.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The InChIKey is GVNFMEQQQFKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)3(2-10)1-4(12)11-5/h1,7,13H,2,10H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).