4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine

C12H10F3N3O — CID 18313547

IUPAC4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-9-3-1-7(2-4-9)8-5-10(16)18-11(17)6-8/h1-6H,(H4,16,17,18)
InChIKeyAMEZOYBZEMCCDW-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.81
Rot. Bonds2

About 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine

4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine (PubChem CID 18313547) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine
PubChem CID18313547
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-9-3-1-7(2-4-9)8-5-10(16)18-11(17)6-8/h1-6H,(H4,16,17,18)
InChIKeyAMEZOYBZEMCCDW-UHFFFAOYSA-N
XLogP2.81
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine (CID 18313547) is 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine is Nc1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)n1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine?
The InChIKey is AMEZOYBZEMCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)19-9-3-1-7(2-4-9)8-5-10(16)18-11(17)6-8/h1-6H,(H4,16,17,18).
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine?
4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine has a molecular weight of 269.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 18313547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).