6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine

C12H11F3N4O — CID 79822542

IUPAC6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccccc2OC(F)(F)F)nc1N
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)20-9-4-2-1-3-8(9)18-10-6-5-7(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19)
InChIKeyXZZUTBFLVRNHOM-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.89
Rot. Bonds3

About 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine

6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine (PubChem CID 79822542) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine
PubChem CID79822542
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccccc2OC(F)(F)F)nc1N
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)20-9-4-2-1-3-8(9)18-10-6-5-7(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19)
InChIKeyXZZUTBFLVRNHOM-UHFFFAOYSA-N
XLogP2.89
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine (CID 79822542) is 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine is Nc1ccc(Nc2ccccc2OC(F)(F)F)nc1N.
What is the InChIKey of 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine?
The InChIKey is XZZUTBFLVRNHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)20-9-4-2-1-3-8(9)18-10-6-5-7(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19).
What are the key properties of 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine?
6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine has a molecular weight of 284.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(trifluoromethoxy)phenyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79822542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).