1,3-dibromo-5-methylbenzene

C7H6Br2 — CID 15361

IUPAC1,3-dibromo-5-methylbenzene
SMILESCc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKeyDPKKOVGCHDUSAI-UHFFFAOYSA-N
MW249.93 g/mol
LogP3.52
Rot. Bonds

About 1,3-dibromo-5-methylbenzene

1,3-dibromo-5-methylbenzene (PubChem CID 15361) has the molecular formula C7H6Br2 and a molecular weight of 249.93 g/mol. Its IUPAC name is 1,3-dibromo-5-methylbenzene.

Molecular Properties

Compound Name1,3-dibromo-5-methylbenzene
PubChem CID15361
Molecular FormulaC7H6Br2
Molecular Weight249.93 g/mol
Exact Mass247.88
IUPAC Name1,3-dibromo-5-methylbenzene
SMILESCc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKeyDPKKOVGCHDUSAI-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.93
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dibromo-5-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

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
3,5-Dibromobiphenyl
CID 3014933
4-Bromobenzyl bromide
CID 68527
3,3',5,5'-Tetrabromobiphenyl
CID 635340
3,4',5-Tribromobiphenyl
CID 155722
Benzene, 2-bromo-1,4-dimethyl-
CID 11121
4-Bromostyrene
CID 16263
2-Bromobenzyl bromide
CID 76965
2,5 Dibromotoluene
CID 12006
Benzene, 1,4-dibromo-2,5-dimethyl-
CID 66175

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-methylbenzene?
The IUPAC name of 1,3-dibromo-5-methylbenzene (CID 15361) is 1,3-dibromo-5-methylbenzene.
What is the SMILES notation for 1,3-dibromo-5-methylbenzene?
The canonical SMILES for 1,3-dibromo-5-methylbenzene is Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-methylbenzene?
The InChIKey is DPKKOVGCHDUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3.
What are the key properties of 1,3-dibromo-5-methylbenzene?
1,3-dibromo-5-methylbenzene has a molecular weight of 249.93 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-methylbenzene is sourced from PubChem (CID 15361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).