4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole

C7H4Br2N2Se — CID 172831247

IUPAC4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole
SMILESCc1cc(Br)c2n[se]nc2c1Br
InChIInChI=1S/C7H4Br2N2Se/c1-3-2-4(8)6-7(5(3)9)11-12-10-6/h2H,1H3
InChIKeyVNSFRMABJWVMJI-UHFFFAOYSA-N
MW354.89 g/mol
LogP2.52
Rot. Bonds

About 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole

4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole (PubChem CID 172831247) has the molecular formula C7H4Br2N2Se and a molecular weight of 354.89 g/mol. Its IUPAC name is 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole
PubChem CID172831247
Molecular FormulaC7H4Br2N2Se
Molecular Weight354.89 g/mol
Exact Mass353.79
IUPAC Name4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole
SMILESCc1cc(Br)c2n[se]nc2c1Br
InChIInChI=1S/C7H4Br2N2Se/c1-3-2-4(8)6-7(5(3)9)11-12-10-6/h2H,1H3
InChIKeyVNSFRMABJWVMJI-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole
CID 140763550
4,7-dibromo-5,6-bis(methylsulfinyl)-2,1,3-benzoselenadiazole
CID 170900935
4,6-dibromo-3,5-dichloro-8-methylquinoline
CID 164661316
4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine
CID 19691938
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene
CID 15855234
5,8-dibromo-6-methylisoquinoline
CID 139034941
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
4-bromo-2,6,8-trimethylphenazin-1-ol
CID 157112481
9,14-dibromo-10,13-dithia-4-selena-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene
CID 170896753
2,6-dibromo-3,5-dimethylphenol
CID 10660357

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole?
The IUPAC name of 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole (CID 172831247) is 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole?
The canonical SMILES for 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole is Cc1cc(Br)c2n[se]nc2c1Br.
What is the InChIKey of 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole?
The InChIKey is VNSFRMABJWVMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2Se/c1-3-2-4(8)6-7(5(3)9)11-12-10-6/h2H,1H3.
What are the key properties of 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole?
4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole has a molecular weight of 354.89 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-5-methyl-2,1,3-benzoselenadiazole is sourced from PubChem (CID 172831247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).