4-iodobenzene-1,2-diamine

C6H7IN2 — CID 11207049

IUPAC4-iodobenzene-1,2-diamine
SMILESNc1ccc(I)cc1N
InChIInChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKeyFUOSRKZBOIVBOS-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.46
Rot. Bonds

About 4-iodobenzene-1,2-diamine

4-iodobenzene-1,2-diamine (PubChem CID 11207049) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name4-iodobenzene-1,2-diamine
PubChem CID11207049
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name4-iodobenzene-1,2-diamine
SMILESNc1ccc(I)cc1N
InChIInChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKeyFUOSRKZBOIVBOS-UHFFFAOYSA-N
XLogP1.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodobenzene-1,2-diamine?
The IUPAC name of 4-iodobenzene-1,2-diamine (CID 11207049) is 4-iodobenzene-1,2-diamine.
What is the SMILES notation for 4-iodobenzene-1,2-diamine?
The canonical SMILES for 4-iodobenzene-1,2-diamine is Nc1ccc(I)cc1N.
What is the InChIKey of 4-iodobenzene-1,2-diamine?
The InChIKey is FUOSRKZBOIVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2.
What are the key properties of 4-iodobenzene-1,2-diamine?
4-iodobenzene-1,2-diamine has a molecular weight of 234.04 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzene-1,2-diamine is sourced from PubChem (CID 11207049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).