4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine

C12H7F6N3 — CID 102718784

IUPAC4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C12H7F6N3/c13-6-3-7(14)11(8(15)4-6)21-10-2-5(12(16,17)18)1-9(19)20-10/h1-4H,(H3,19,20,21)
InChIKeyDSKFLQJMWPDOJS-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.84
Rot. Bonds2

About 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine

4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine (PubChem CID 102718784) has the molecular formula C12H7F6N3 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
PubChem CID102718784
Molecular FormulaC12H7F6N3
Molecular Weight307.20 g/mol
Exact Mass307.05
IUPAC Name4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C12H7F6N3/c13-6-3-7(14)11(8(15)4-6)21-10-2-5(12(16,17)18)1-9(19)20-10/h1-4H,(H3,19,20,21)
InChIKeyDSKFLQJMWPDOJS-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine 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

6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
N-(2,4-difluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720931
6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
CID 80855579
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine (CID 102718784) is 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(Nc2c(F)cc(F)cc2F)n1.
What is the InChIKey of 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
The InChIKey is DSKFLQJMWPDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3/c13-6-3-7(14)11(8(15)4-6)21-10-2-5(12(16,17)18)1-9(19)20-10/h1-4H,(H3,19,20,21).
What are the key properties of 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine?
4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).