6-(4-iodophenoxy)pyridine-2,3-diamine

C11H10IN3O — CID 79826483

IUPAC6-(4-iodophenoxy)pyridine-2,3-diamine
SMILESNc1ccc(Oc2ccc(I)cc2)nc1N
InChIInChI=1S/C11H10IN3O/c12-7-1-3-8(4-2-7)16-10-6-5-9(13)11(14)15-10/h1-6H,13H2,(H2,14,15)
InChIKeyNAJJJDUJPDUHIW-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.64
Rot. Bonds2

About 6-(4-iodophenoxy)pyridine-2,3-diamine

6-(4-iodophenoxy)pyridine-2,3-diamine (PubChem CID 79826483) has the molecular formula C11H10IN3O and a molecular weight of 327.12 g/mol. Its IUPAC name is 6-(4-iodophenoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(4-iodophenoxy)pyridine-2,3-diamine
PubChem CID79826483
Molecular FormulaC11H10IN3O
Molecular Weight327.12 g/mol
Exact Mass326.99
IUPAC Name6-(4-iodophenoxy)pyridine-2,3-diamine
SMILESNc1ccc(Oc2ccc(I)cc2)nc1N
InChIInChI=1S/C11H10IN3O/c12-7-1-3-8(4-2-7)16-10-6-5-9(13)11(14)15-10/h1-6H,13H2,(H2,14,15)
InChIKeyNAJJJDUJPDUHIW-UHFFFAOYSA-N
XLogP2.64
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)pyridine-2,3-diamine?
The IUPAC name of 6-(4-iodophenoxy)pyridine-2,3-diamine (CID 79826483) is 6-(4-iodophenoxy)pyridine-2,3-diamine.
What is the SMILES notation for 6-(4-iodophenoxy)pyridine-2,3-diamine?
The canonical SMILES for 6-(4-iodophenoxy)pyridine-2,3-diamine is Nc1ccc(Oc2ccc(I)cc2)nc1N.
What is the InChIKey of 6-(4-iodophenoxy)pyridine-2,3-diamine?
The InChIKey is NAJJJDUJPDUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c12-7-1-3-8(4-2-7)16-10-6-5-9(13)11(14)15-10/h1-6H,13H2,(H2,14,15).
What are the key properties of 6-(4-iodophenoxy)pyridine-2,3-diamine?
6-(4-iodophenoxy)pyridine-2,3-diamine has a molecular weight of 327.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)pyridine-2,3-diamine is sourced from PubChem (CID 79826483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).