5-iodopyridine-3,4-diamine

C5H6IN3 — CID 104509140

IUPAC5-iodopyridine-3,4-diamine
SMILESNc1cncc(I)c1N
InChIInChI=1S/C5H6IN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)
InChIKeyHTPAEXBGLNKQSN-UHFFFAOYSA-N
MW235.03 g/mol
LogP0.85
Rot. Bonds

About 5-iodopyridine-3,4-diamine

5-iodopyridine-3,4-diamine (PubChem CID 104509140) has the molecular formula C5H6IN3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 5-iodopyridine-3,4-diamine.

Molecular Properties

Compound Name5-iodopyridine-3,4-diamine
PubChem CID104509140
Molecular FormulaC5H6IN3
Molecular Weight235.03 g/mol
Exact Mass234.96
IUPAC Name5-iodopyridine-3,4-diamine
SMILESNc1cncc(I)c1N
InChIInChI=1S/C5H6IN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)
InChIKeyHTPAEXBGLNKQSN-UHFFFAOYSA-N
XLogP0.85
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 50.85
H-Bond Donors ≤ 52
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 5-iodopyridine-3,4-diamine?
The IUPAC name of 5-iodopyridine-3,4-diamine (CID 104509140) is 5-iodopyridine-3,4-diamine.
What is the SMILES notation for 5-iodopyridine-3,4-diamine?
The canonical SMILES for 5-iodopyridine-3,4-diamine is Nc1cncc(I)c1N.
What is the InChIKey of 5-iodopyridine-3,4-diamine?
The InChIKey is HTPAEXBGLNKQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9).
What are the key properties of 5-iodopyridine-3,4-diamine?
5-iodopyridine-3,4-diamine has a molecular weight of 235.03 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopyridine-3,4-diamine is sourced from PubChem (CID 104509140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).