2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine

C12H10F3N3 — CID 70979281

IUPAC2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-7-6-9(16)11(18-10)17-8-4-2-1-3-5-8/h1-7H,16H2,(H,17,18)
InChIKeyDMQLYJLVVPLCEX-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.43
Rot. Bonds2

About 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine

2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 70979281) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID70979281
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-7-6-9(16)11(18-10)17-8-4-2-1-3-5-8/h1-7H,16H2,(H,17,18)
InChIKeyDMQLYJLVVPLCEX-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-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 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine (CID 70979281) is 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine is Nc1ccc(C(F)(F)F)nc1Nc1ccccc1.
What is the InChIKey of 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is DMQLYJLVVPLCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)10-7-6-9(16)11(18-10)17-8-4-2-1-3-5-8/h1-7H,16H2,(H,17,18).
What are the key properties of 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 253.23 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 70979281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).