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

C8H7F5N2O2 — CID 118808677

IUPAC2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)3-1-5(16)6(4(2-14)15-3)17-8(11,12)13/h1,7H,2,14H2,(H,15,16)
InChIKeyZZQWDVHIQSOPDN-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.67
Rot. Bonds3

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

2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118808677) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118808677
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)3-1-5(16)6(4(2-14)15-3)17-8(11,12)13/h1,7H,2,14H2,(H,15,16)
InChIKeyZZQWDVHIQSOPDN-UHFFFAOYSA-N
XLogP1.67
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-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 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118808677) is 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is ZZQWDVHIQSOPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c9-7(10)3-1-5(16)6(4(2-14)15-3)17-8(11,12)13/h1,7H,2,14H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 258.15 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).