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

C7H7F3N2O — CID 118836693

IUPAC2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
SMILESNCc1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H7F3N2O/c8-5-1-4(13)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2,(H,12,13)
InChIKeyFRVQVJVSXARMLX-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

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

2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one (PubChem CID 118836693) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
PubChem CID118836693
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
SMILESNCc1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H7F3N2O/c8-5-1-4(13)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2,(H,12,13)
InChIKeyFRVQVJVSXARMLX-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 2-(aminomethyl)-3-(difluoromethyl)-6-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

Related Compounds

2-(Aminomethyl)-6-fluoropyridin-4-OL
CID 72215948
2-(Aminomethyl)-6-(trifluoromethyl)pyridin-4-OL
CID 72216011
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118803061
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxypyridine
CID 118803267
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-6-(trifluoromethoxy)pyridine
CID 118808629
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-5-(trifluoromethyl)pyridine
CID 118814127
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxy-3-methylpyridine
CID 118814346
2-(Aminomethyl)-6-bromo-3-(difluoromethyl)-4-hydroxypyridine
CID 118814553
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-6-iodopyridine
CID 118819770
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-5-iodopyridine
CID 118819783
2-(Aminomethyl)-6-cyano-3-(difluoromethyl)-4-hydroxypyridine
CID 118820220
2-(Aminomethyl)-6-chloro-3-(difluoromethyl)-4-hydroxypyridine
CID 118825648

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one (CID 118836693) is 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one is NCc1[nH]c(F)cc(=O)c1C(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one?
The InChIKey is FRVQVJVSXARMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-5-1-4(13)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one?
2-(aminomethyl)-3-(difluoromethyl)-6-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 2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 118836693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).