2-bromo-5-methoxybenzoyl chloride

C8H6BrClO2 — CID 2781656

IUPAC2-bromo-5-methoxybenzoyl chloride
SMILESCOc1ccc(Br)c(C(=O)Cl)c1
InChIInChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3
InChIKeyRZCQJXVXRYIJQE-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-5-methoxybenzoyl chloride

2-bromo-5-methoxybenzoyl chloride (PubChem CID 2781656) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-bromo-5-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-bromo-5-methoxybenzoyl chloride
PubChem CID2781656
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name2-bromo-5-methoxybenzoyl chloride
SMILESCOc1ccc(Br)c(C(=O)Cl)c1
InChIInChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3
InChIKeyRZCQJXVXRYIJQE-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methoxybenzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxybenzoyl chloride?
The IUPAC name of 2-bromo-5-methoxybenzoyl chloride (CID 2781656) is 2-bromo-5-methoxybenzoyl chloride.
What is the SMILES notation for 2-bromo-5-methoxybenzoyl chloride?
The canonical SMILES for 2-bromo-5-methoxybenzoyl chloride is COc1ccc(Br)c(C(=O)Cl)c1.
What is the InChIKey of 2-bromo-5-methoxybenzoyl chloride?
The InChIKey is RZCQJXVXRYIJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3.
What are the key properties of 2-bromo-5-methoxybenzoyl chloride?
2-bromo-5-methoxybenzoyl chloride has a molecular weight of 249.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxybenzoyl chloride is sourced from PubChem (CID 2781656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).