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

C7H8F2N2O2 — CID 130104845

IUPAC3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1c(CO)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1,6,12H,2,10H2,(H,11,13)
InChIKeyKBCJAGCRKOPPNM-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.39
Rot. Bonds2

About 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one

3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130104845) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130104845
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESNc1c(CO)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1,6,12H,2,10H2,(H,11,13)
InChIKeyKBCJAGCRKOPPNM-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-5-(difluoromethyl)-4-(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one (CID 130104845) is 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one is Nc1c(CO)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is KBCJAGCRKOPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)3-1-11-7(13)5(10)4(3)2-12/h1,6,12H,2,10H2,(H,11,13).
What are the key properties of 3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
3-amino-5-(difluoromethyl)-4-(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-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).