4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine

C12H8F3IN2O — CID 106748404

IUPAC4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Oc1ccccc1I
InChIInChI=1S/C12H8F3IN2O/c13-12(14,15)11-5-10(8(17)6-18-11)19-9-4-2-1-3-7(9)16/h1-6H,17H2
InChIKeyFCQYGOSEXWCGNF-UHFFFAOYSA-N
MW380.11 g/mol
LogP4.08
Rot. Bonds2

About 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine

4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748404) has the molecular formula C12H8F3IN2O and a molecular weight of 380.11 g/mol. Its IUPAC name is 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748404
Molecular FormulaC12H8F3IN2O
Molecular Weight380.11 g/mol
Exact Mass379.96
IUPAC Name4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Oc1ccccc1I
InChIInChI=1S/C12H8F3IN2O/c13-12(14,15)11-5-10(8(17)6-18-11)19-9-4-2-1-3-7(9)16/h1-6H,17H2
InChIKeyFCQYGOSEXWCGNF-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine (CID 106748404) is 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1Oc1ccccc1I.
What is the InChIKey of 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is FCQYGOSEXWCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3IN2O/c13-12(14,15)11-5-10(8(17)6-18-11)19-9-4-2-1-3-7(9)16/h1-6H,17H2.
What are the key properties of 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 380.11 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).