4-amino-2-bromo-6-methylbenzene-1,3-diol

C7H8BrNO2 — CID 84683345

IUPAC4-amino-2-bromo-6-methylbenzene-1,3-diol
SMILESCc1cc(N)c(O)c(Br)c1O
InChIInChI=1S/C7H8BrNO2/c1-3-2-4(9)7(11)5(8)6(3)10/h2,10-11H,9H2,1H3
InChIKeyUCZNLDYJQSMXAY-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.75
Rot. Bonds

About 4-amino-2-bromo-6-methylbenzene-1,3-diol

4-amino-2-bromo-6-methylbenzene-1,3-diol (PubChem CID 84683345) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 4-amino-2-bromo-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-amino-2-bromo-6-methylbenzene-1,3-diol
PubChem CID84683345
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name4-amino-2-bromo-6-methylbenzene-1,3-diol
SMILESCc1cc(N)c(O)c(Br)c1O
InChIInChI=1S/C7H8BrNO2/c1-3-2-4(9)7(11)5(8)6(3)10/h2,10-11H,9H2,1H3
InChIKeyUCZNLDYJQSMXAY-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
5-amino-2-bromo-3,6-dimethylphenol
CID 84784556
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
4-amino-2-bromo-6-hexylbenzene-1,3-diol;hydrobromide
CID 3031772
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-bromo-2-chloro-5-methylbenzene-1,4-diol
CID 59638989
3-amino-4-bromo-5-methylbenzene-1,2-diol
CID 84683348
4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
CID 84802512
6-amino-2,3-dimethoxy-4-methylphenol
CID 84658981

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-6-methylbenzene-1,3-diol?
The IUPAC name of 4-amino-2-bromo-6-methylbenzene-1,3-diol (CID 84683345) is 4-amino-2-bromo-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-amino-2-bromo-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-amino-2-bromo-6-methylbenzene-1,3-diol is Cc1cc(N)c(O)c(Br)c1O.
What is the InChIKey of 4-amino-2-bromo-6-methylbenzene-1,3-diol?
The InChIKey is UCZNLDYJQSMXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-3-2-4(9)7(11)5(8)6(3)10/h2,10-11H,9H2,1H3.
What are the key properties of 4-amino-2-bromo-6-methylbenzene-1,3-diol?
4-amino-2-bromo-6-methylbenzene-1,3-diol has a molecular weight of 218.05 g/mol, XLogP of 1.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-6-methylbenzene-1,3-diol is sourced from PubChem (CID 84683345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).