1,5-dibromo-2-chloro-4-methylbenzene

C7H5Br2Cl — CID 18927059

IUPAC1,5-dibromo-2-chloro-4-methylbenzene
SMILESCc1cc(Cl)c(Br)cc1Br
InChIInChI=1S/C7H5Br2Cl/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChIKeyNYKJNEOPRRCYLB-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.17
Rot. Bonds

About 1,5-dibromo-2-chloro-4-methylbenzene

1,5-dibromo-2-chloro-4-methylbenzene (PubChem CID 18927059) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1,5-dibromo-2-chloro-4-methylbenzene.

Molecular Properties

Compound Name1,5-dibromo-2-chloro-4-methylbenzene
PubChem CID18927059
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1,5-dibromo-2-chloro-4-methylbenzene
SMILESCc1cc(Cl)c(Br)cc1Br
InChIInChI=1S/C7H5Br2Cl/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChIKeyNYKJNEOPRRCYLB-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,5-dibromo-2-chloro-4-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
5-bromo-4-chloro-2-methylbenzonitrile
CID 131441428
1-bromo-2-chloro-5-isocyano-4-methylbenzene
CID 167421152
1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803604
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
2,7-dibromo-3,8-dichlorothianthrene
CID 19906812
2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
CID 131491590
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
2-(5-bromo-4-chloro-2-methylphenyl)propanenitrile
CID 84806025
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-chloro-4-methylbenzene?
The IUPAC name of 1,5-dibromo-2-chloro-4-methylbenzene (CID 18927059) is 1,5-dibromo-2-chloro-4-methylbenzene.
What is the SMILES notation for 1,5-dibromo-2-chloro-4-methylbenzene?
The canonical SMILES for 1,5-dibromo-2-chloro-4-methylbenzene is Cc1cc(Cl)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2-chloro-4-methylbenzene?
The InChIKey is NYKJNEOPRRCYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3.
What are the key properties of 1,5-dibromo-2-chloro-4-methylbenzene?
1,5-dibromo-2-chloro-4-methylbenzene has a molecular weight of 284.38 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-chloro-4-methylbenzene is sourced from PubChem (CID 18927059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).