6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

C12H9F3N2O — CID 2779608

IUPAC6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-2-1-3-10(6-8)18-11-5-4-9(16)7-17-11/h1-7H,16H2
InChIKeyIBYWYLYPBYMDDR-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.47
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 2779608) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID2779608
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-2-1-3-10(6-8)18-11-5-4-9(16)7-17-11/h1-7H,16H2
InChIKeyIBYWYLYPBYMDDR-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

Analyze 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine 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 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 2779608) is 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is IBYWYLYPBYMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-2-1-3-10(6-8)18-11-5-4-9(16)7-17-11/h1-7H,16H2.
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 254.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 2779608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).