6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine

C12H10F3N3O — CID 23063783

IUPAC6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)c(Oc2ccccc2)nc1N
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-6-9(16)10(17)18-11(8)19-7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18)
InChIKeyDOCWFFCJCUZXPE-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.06
Rot. Bonds2

About 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine

6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 23063783) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID23063783
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)c(Oc2ccccc2)nc1N
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-6-9(16)10(17)18-11(8)19-7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18)
InChIKeyDOCWFFCJCUZXPE-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine (CID 23063783) is 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine is Nc1cc(C(F)(F)F)c(Oc2ccccc2)nc1N.
What is the InChIKey of 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is DOCWFFCJCUZXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)8-6-9(16)10(17)18-11(8)19-7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18).
What are the key properties of 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine?
6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 269.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 23063783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).