2-amino-4-bromophenol;hydrochloride

C6H7BrClNO — CID 46738123

IUPAC2-amino-4-bromophenol;hydrochloride
SMILESCl.Nc1cc(Br)ccc1O
InChIInChI=1S/C6H6BrNO.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H
InChIKeyQPIYEAMFMMNUEX-UHFFFAOYSA-N
MW224.49 g/mol
LogP2.16
Rot. Bonds

About 2-amino-4-bromophenol;hydrochloride

2-amino-4-bromophenol;hydrochloride (PubChem CID 46738123) has the molecular formula C6H7BrClNO and a molecular weight of 224.49 g/mol. Its IUPAC name is 2-amino-4-bromophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-bromophenol;hydrochloride
PubChem CID46738123
Molecular FormulaC6H7BrClNO
Molecular Weight224.49 g/mol
Exact Mass222.94
IUPAC Name2-amino-4-bromophenol;hydrochloride
SMILESCl.Nc1cc(Br)ccc1O
InChIInChI=1S/C6H6BrNO.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H
InChIKeyQPIYEAMFMMNUEX-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.49
LogP ≤ 52.16
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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Related Compounds

2-amino-4-bromophenol;bis(4-bromophenol)
CID 67677051
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
2-amino-5-bromophenol;2-methylpropane
CID 143907828
2-amino-4-[(4-bromophenoxy)methyl]phenol
CID 117221968
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
2,4-dibromophenol;methanol
CID 174690931
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
2-amino-4-dibromoarsanylphenol;hydrobromide
CID 3029830
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromophenol;hydrochloride?
The IUPAC name of 2-amino-4-bromophenol;hydrochloride (CID 46738123) is 2-amino-4-bromophenol;hydrochloride.
What is the SMILES notation for 2-amino-4-bromophenol;hydrochloride?
The canonical SMILES for 2-amino-4-bromophenol;hydrochloride is Cl.Nc1cc(Br)ccc1O.
What is the InChIKey of 2-amino-4-bromophenol;hydrochloride?
The InChIKey is QPIYEAMFMMNUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H.
What are the key properties of 2-amino-4-bromophenol;hydrochloride?
2-amino-4-bromophenol;hydrochloride has a molecular weight of 224.49 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromophenol;hydrochloride is sourced from PubChem (CID 46738123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).