4,6-dibromo-2,1,3-benzoxadiazole

C6H2Br2N2O — CID 15209513

IUPAC4,6-dibromo-2,1,3-benzoxadiazole
SMILESBrc1cc(Br)c2nonc2c1
InChIInChI=1S/C6H2Br2N2O/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyCWWZUAXJZKSULT-UHFFFAOYSA-N
MW277.90 g/mol
LogP2.75
Rot. Bonds

About 4,6-dibromo-2,1,3-benzoxadiazole

4,6-dibromo-2,1,3-benzoxadiazole (PubChem CID 15209513) has the molecular formula C6H2Br2N2O and a molecular weight of 277.90 g/mol. Its IUPAC name is 4,6-dibromo-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4,6-dibromo-2,1,3-benzoxadiazole
PubChem CID15209513
Molecular FormulaC6H2Br2N2O
Molecular Weight277.90 g/mol
Exact Mass275.85
IUPAC Name4,6-dibromo-2,1,3-benzoxadiazole
SMILESBrc1cc(Br)c2nonc2c1
InChIInChI=1S/C6H2Br2N2O/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyCWWZUAXJZKSULT-UHFFFAOYSA-N
XLogP2.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.90
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2,1,3-benzothiadiazole
CID 736492
4-Bromo-2,1,3-benzoxadiazole
CID 607823
5-Bromo-benzo[2,1,3]thiadiazole
CID 2776295
5-Bromo-2,1,3-benzoxadiazole
CID 2776298
5,7-Dibromo-1H-benzo[d][1,2,3]triazole
CID 12963735
2,1,3-Benzoselenadiazole, 4,6-dibromo-
CID 14029992
4,7-Dibromobenzo[c][1,2,5]oxadiazole
CID 179636
5-Bromobenzo[c][1,2,5]oxadiazole 1-oxide
CID 554514
5,6-Dibromo-2,1,3-benzothiadiazole
CID 11044589
4,5,7-Tribromo-2,1,3-benzothiadiazole
CID 21820331
4-Bromo-6-fluoro-2,1,3-benzoselenadiazole
CID 14029993
4-Bromo-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
CID 46498851

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,1,3-benzoxadiazole?
The IUPAC name of 4,6-dibromo-2,1,3-benzoxadiazole (CID 15209513) is 4,6-dibromo-2,1,3-benzoxadiazole.
What is the SMILES notation for 4,6-dibromo-2,1,3-benzoxadiazole?
The canonical SMILES for 4,6-dibromo-2,1,3-benzoxadiazole is Brc1cc(Br)c2nonc2c1.
What is the InChIKey of 4,6-dibromo-2,1,3-benzoxadiazole?
The InChIKey is CWWZUAXJZKSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2O/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H.
What are the key properties of 4,6-dibromo-2,1,3-benzoxadiazole?
4,6-dibromo-2,1,3-benzoxadiazole has a molecular weight of 277.90 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,1,3-benzoxadiazole is sourced from PubChem (CID 15209513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).