2,4-dibromo-7-nitro-1-benzothiophene

C8H3Br2NO2S — CID 130826552

IUPAC2,4-dibromo-7-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1ccc(Br)c2cc(Br)sc12
InChIInChI=1S/C8H3Br2NO2S/c9-5-1-2-6(11(12)13)8-4(5)3-7(10)14-8/h1-3H
InChIKeyGOLZXMOVHVWXPC-UHFFFAOYSA-N
MW336.99 g/mol
LogP4.33
Rot. Bonds1

About 2,4-dibromo-7-nitro-1-benzothiophene

2,4-dibromo-7-nitro-1-benzothiophene (PubChem CID 130826552) has the molecular formula C8H3Br2NO2S and a molecular weight of 336.99 g/mol. Its IUPAC name is 2,4-dibromo-7-nitro-1-benzothiophene.

Molecular Properties

Compound Name2,4-dibromo-7-nitro-1-benzothiophene
PubChem CID130826552
Molecular FormulaC8H3Br2NO2S
Molecular Weight336.99 g/mol
Exact Mass334.83
IUPAC Name2,4-dibromo-7-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1ccc(Br)c2cc(Br)sc12
InChIInChI=1S/C8H3Br2NO2S/c9-5-1-2-6(11(12)13)8-4(5)3-7(10)14-8/h1-3H
InChIKeyGOLZXMOVHVWXPC-UHFFFAOYSA-N
XLogP4.33
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.99
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methyl-7-nitro-1-benzothiophene
CID 130805694
5-bromo-8-nitro-1H-quinolin-2-one
CID 146673558
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
1-bromo-3-(bromomethyl)-2-methoxy-4-nitrobenzene
CID 171007882
5-bromo-8-nitro-2H-isoquinolin-1-one
CID 82572170
7-bromo-2-methyl-6-nitro-1-benzothiophene
CID 130805854
7-bromo-4-nitro-1-benzothiophen-3-amine
CID 130961060
7-bromo-2-nitro-1-benzothiophen-4-ol
CID 130883985
1-bromo-2,4,5-trinitrobenzene
CID 13333986
2-(2-bromo-6-nitrophenoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 81496873
4-bromo-7-fluoro-6-nitro-1-benzothiophene
CID 131215392
6-bromo-2-fluoro-3-nitrobenzenethiol
CID 130730617

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-7-nitro-1-benzothiophene?
The IUPAC name of 2,4-dibromo-7-nitro-1-benzothiophene (CID 130826552) is 2,4-dibromo-7-nitro-1-benzothiophene.
What is the SMILES notation for 2,4-dibromo-7-nitro-1-benzothiophene?
The canonical SMILES for 2,4-dibromo-7-nitro-1-benzothiophene is O=[N+]([O-])c1ccc(Br)c2cc(Br)sc12.
What is the InChIKey of 2,4-dibromo-7-nitro-1-benzothiophene?
The InChIKey is GOLZXMOVHVWXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2NO2S/c9-5-1-2-6(11(12)13)8-4(5)3-7(10)14-8/h1-3H.
What are the key properties of 2,4-dibromo-7-nitro-1-benzothiophene?
2,4-dibromo-7-nitro-1-benzothiophene has a molecular weight of 336.99 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-7-nitro-1-benzothiophene is sourced from PubChem (CID 130826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).