2-amino-4,6-dibromophenol;hydrochloride

C6H6Br2ClNO — CID 3063405

IUPAC2-amino-4,6-dibromophenol;hydrochloride
SMILESCl.Nc1cc(Br)cc(Br)c1O
InChIInChI=1S/C6H5Br2NO.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H,9H2;1H
InChIKeyPCKBZDQNKQQIKY-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.92
Rot. Bonds

About 2-amino-4,6-dibromophenol;hydrochloride

2-amino-4,6-dibromophenol;hydrochloride (PubChem CID 3063405) has the molecular formula C6H6Br2ClNO and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-amino-4,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4,6-dibromophenol;hydrochloride
PubChem CID3063405
Molecular FormulaC6H6Br2ClNO
Molecular Weight303.38 g/mol
Exact Mass300.85
IUPAC Name2-amino-4,6-dibromophenol;hydrochloride
SMILESCl.Nc1cc(Br)cc(Br)c1O
InChIInChI=1S/C6H5Br2NO.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H,9H2;1H
InChIKeyPCKBZDQNKQQIKY-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromophenol;hydrochloride?
The IUPAC name of 2-amino-4,6-dibromophenol;hydrochloride (CID 3063405) is 2-amino-4,6-dibromophenol;hydrochloride.
What is the SMILES notation for 2-amino-4,6-dibromophenol;hydrochloride?
The canonical SMILES for 2-amino-4,6-dibromophenol;hydrochloride is Cl.Nc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-amino-4,6-dibromophenol;hydrochloride?
The InChIKey is PCKBZDQNKQQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H,9H2;1H.
What are the key properties of 2-amino-4,6-dibromophenol;hydrochloride?
2-amino-4,6-dibromophenol;hydrochloride has a molecular weight of 303.38 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromophenol;hydrochloride is sourced from PubChem (CID 3063405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).