3,4-diamino-5-iodophenol

C6H7IN2O — CID 163601326

IUPAC3,4-diamino-5-iodophenol
SMILESNc1cc(O)cc(I)c1N
InChIInChI=1S/C6H7IN2O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,8-9H2
InChIKeyGXXCVOZSQBZCCF-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.16
Rot. Bonds

About 3,4-diamino-5-iodophenol

3,4-diamino-5-iodophenol (PubChem CID 163601326) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is 3,4-diamino-5-iodophenol.

Molecular Properties

Compound Name3,4-diamino-5-iodophenol
PubChem CID163601326
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name3,4-diamino-5-iodophenol
SMILESNc1cc(O)cc(I)c1N
InChIInChI=1S/C6H7IN2O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,8-9H2
InChIKeyGXXCVOZSQBZCCF-UHFFFAOYSA-N
XLogP1.16
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-diamino-5-iodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-iodobenzene-1,2-diamine
CID 99770085
4-amino-3-iodophenol;hydrochloride
CID 86775296
3,4-diiodo-5-methylphenol
CID 18353584
benzene-1,3,5-triol
CID 359
4-amino-3,5-diiodobenzenesulfonic acid
CID 46707047
3-amino-5-fluoro-4-methylphenol
CID 131277286
1-(3-amino-4-hydroxy-5-iodophenyl)ethanone
CID 171026761
4-amino-3,5-diaminooxyphenol
CID 70420776
5-iodopyridine-3,4-diamine
CID 104509140
CID 70471879
CID 70471879
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
CID 130648423
2,5-diiodobenzene-1,4-diol
CID 18504287

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5-iodophenol?
The IUPAC name of 3,4-diamino-5-iodophenol (CID 163601326) is 3,4-diamino-5-iodophenol.
What is the SMILES notation for 3,4-diamino-5-iodophenol?
The canonical SMILES for 3,4-diamino-5-iodophenol is Nc1cc(O)cc(I)c1N.
What is the InChIKey of 3,4-diamino-5-iodophenol?
The InChIKey is GXXCVOZSQBZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,8-9H2.
What are the key properties of 3,4-diamino-5-iodophenol?
3,4-diamino-5-iodophenol has a molecular weight of 250.04 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-5-iodophenol is sourced from PubChem (CID 163601326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).