(2,3-dibromo-5-methylphenyl)boronic acid

C7H7BBr2O2 — CID 167515850

IUPAC(2,3-dibromo-5-methylphenyl)boronic acid
SMILESCc1cc(Br)c(Br)c(B(O)O)c1
InChIInChI=1S/C7H7BBr2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,11-12H,1H3
InChIKeyARVIOYBGCNGUBY-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.20
Rot. Bonds1

About (2,3-dibromo-5-methylphenyl)boronic acid

(2,3-dibromo-5-methylphenyl)boronic acid (PubChem CID 167515850) has the molecular formula C7H7BBr2O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (2,3-dibromo-5-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2,3-dibromo-5-methylphenyl)boronic acid
PubChem CID167515850
Molecular FormulaC7H7BBr2O2
Molecular Weight293.75 g/mol
Exact Mass291.89
IUPAC Name(2,3-dibromo-5-methylphenyl)boronic acid
SMILESCc1cc(Br)c(Br)c(B(O)O)c1
InChIInChI=1S/C7H7BBr2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,11-12H,1H3
InChIKeyARVIOYBGCNGUBY-UHFFFAOYSA-N
XLogP1.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-5-methylphenyl)boronic acid?
The IUPAC name of (2,3-dibromo-5-methylphenyl)boronic acid (CID 167515850) is (2,3-dibromo-5-methylphenyl)boronic acid.
What is the SMILES notation for (2,3-dibromo-5-methylphenyl)boronic acid?
The canonical SMILES for (2,3-dibromo-5-methylphenyl)boronic acid is Cc1cc(Br)c(Br)c(B(O)O)c1.
What is the InChIKey of (2,3-dibromo-5-methylphenyl)boronic acid?
The InChIKey is ARVIOYBGCNGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BBr2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,11-12H,1H3.
What are the key properties of (2,3-dibromo-5-methylphenyl)boronic acid?
(2,3-dibromo-5-methylphenyl)boronic acid has a molecular weight of 293.75 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-5-methylphenyl)boronic acid is sourced from PubChem (CID 167515850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).