4-amino-3-iodophenol;hydrochloride

C6H7ClINO — CID 86775296

IUPAC4-amino-3-iodophenol;hydrochloride
SMILESCl.Nc1ccc(O)cc1I
InChIInChI=1S/C6H6INO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H
InChIKeyIQWVENNPUMLVQQ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.00
Rot. Bonds

About 4-amino-3-iodophenol;hydrochloride

4-amino-3-iodophenol;hydrochloride (PubChem CID 86775296) has the molecular formula C6H7ClINO and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-amino-3-iodophenol;hydrochloride.

Molecular Properties

Compound Name4-amino-3-iodophenol;hydrochloride
PubChem CID86775296
Molecular FormulaC6H7ClINO
Molecular Weight271.49 g/mol
Exact Mass270.93
IUPAC Name4-amino-3-iodophenol;hydrochloride
SMILESCl.Nc1ccc(O)cc1I
InChIInChI=1S/C6H6INO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H
InChIKeyIQWVENNPUMLVQQ-UHFFFAOYSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-iodophenol;hydrochloride?
The IUPAC name of 4-amino-3-iodophenol;hydrochloride (CID 86775296) is 4-amino-3-iodophenol;hydrochloride.
What is the SMILES notation for 4-amino-3-iodophenol;hydrochloride?
The canonical SMILES for 4-amino-3-iodophenol;hydrochloride is Cl.Nc1ccc(O)cc1I.
What is the InChIKey of 4-amino-3-iodophenol;hydrochloride?
The InChIKey is IQWVENNPUMLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H.
What are the key properties of 4-amino-3-iodophenol;hydrochloride?
4-amino-3-iodophenol;hydrochloride has a molecular weight of 271.49 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-iodophenol;hydrochloride is sourced from PubChem (CID 86775296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).