3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one

C7H7F3N2O — CID 130079406

IUPAC3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
SMILESNCc1c(F)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O/c8-6(9)4-1-5(13)3(2-11)7(10)12-4/h1,6H,2,11H2,(H,12,13)
InChIKeyIQESOFMJDFVCIN-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

About 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one

3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one (PubChem CID 130079406) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
PubChem CID130079406
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
SMILESNCc1c(F)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O/c8-6(9)4-1-5(13)3(2-11)7(10)12-4/h1,6H,2,11H2,(H,12,13)
InChIKeyIQESOFMJDFVCIN-UHFFFAOYSA-N
XLogP0.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-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-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one (CID 130079406) is 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one is NCc1c(F)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
The InChIKey is IQESOFMJDFVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-6(9)4-1-5(13)3(2-11)7(10)12-4/h1,6H,2,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one?
3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one has a molecular weight of 192.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130079406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).