6-(trifluoromethyl)pyridine-3,4-diamine

C6H6F3N3 — CID 22380004

IUPAC6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-1-3(10)4(11)2-12-5/h1-2H,11H2,(H2,10,12)
InChIKeyZXYMLNXDEYTMJX-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.26
Rot. Bonds

About 6-(trifluoromethyl)pyridine-3,4-diamine

6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 22380004) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID22380004
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-1-3(10)4(11)2-12-5/h1-2H,11H2,(H2,10,12)
InChIKeyZXYMLNXDEYTMJX-UHFFFAOYSA-N
XLogP1.26
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(trifluoromethyl)pyridine-3,4-diamine 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 6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 6-(trifluoromethyl)pyridine-3,4-diamine (CID 22380004) is 6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1N.
What is the InChIKey of 6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ZXYMLNXDEYTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5-1-3(10)4(11)2-12-5/h1-2H,11H2,(H2,10,12).
What are the key properties of 6-(trifluoromethyl)pyridine-3,4-diamine?
6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 177.13 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 22380004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).