5-amino-2-bromo-4-methylphenol;hydrochloride

C7H9BrClNO — CID 155971056

IUPAC5-amino-2-bromo-4-methylphenol;hydrochloride
SMILESCc1cc(Br)c(O)cc1N.Cl
InChIInChI=1S/C7H8BrNO.ClH/c1-4-2-5(8)7(10)3-6(4)9;/h2-3,10H,9H2,1H3;1H
InChIKeyYVHBOESSKSFFDI-UHFFFAOYSA-N
MW238.51 g/mol
LogP2.47
Rot. Bonds

About 5-amino-2-bromo-4-methylphenol;hydrochloride

5-amino-2-bromo-4-methylphenol;hydrochloride (PubChem CID 155971056) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is 5-amino-2-bromo-4-methylphenol;hydrochloride.

Molecular Properties

Compound Name5-amino-2-bromo-4-methylphenol;hydrochloride
PubChem CID155971056
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC Name5-amino-2-bromo-4-methylphenol;hydrochloride
SMILESCc1cc(Br)c(O)cc1N.Cl
InChIInChI=1S/C7H8BrNO.ClH/c1-4-2-5(8)7(10)3-6(4)9;/h2-3,10H,9H2,1H3;1H
InChIKeyYVHBOESSKSFFDI-UHFFFAOYSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-methylphenol;hydrochloride?
The IUPAC name of 5-amino-2-bromo-4-methylphenol;hydrochloride (CID 155971056) is 5-amino-2-bromo-4-methylphenol;hydrochloride.
What is the SMILES notation for 5-amino-2-bromo-4-methylphenol;hydrochloride?
The canonical SMILES for 5-amino-2-bromo-4-methylphenol;hydrochloride is Cc1cc(Br)c(O)cc1N.Cl.
What is the InChIKey of 5-amino-2-bromo-4-methylphenol;hydrochloride?
The InChIKey is YVHBOESSKSFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.ClH/c1-4-2-5(8)7(10)3-6(4)9;/h2-3,10H,9H2,1H3;1H.
What are the key properties of 5-amino-2-bromo-4-methylphenol;hydrochloride?
5-amino-2-bromo-4-methylphenol;hydrochloride has a molecular weight of 238.51 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-methylphenol;hydrochloride is sourced from PubChem (CID 155971056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).