4-bromo-7-fluoro-6-nitro-1-benzothiophene

C8H3BrFNO2S — CID 131215392

IUPAC4-bromo-7-fluoro-6-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc(Br)c2ccsc2c1F
InChIInChI=1S/C8H3BrFNO2S/c9-5-3-6(11(12)13)7(10)8-4(5)1-2-14-8/h1-3H
InChIKeyARQWQWWMCWVREW-UHFFFAOYSA-N
MW276.09 g/mol
LogP3.71
Rot. Bonds1

About 4-bromo-7-fluoro-6-nitro-1-benzothiophene

4-bromo-7-fluoro-6-nitro-1-benzothiophene (PubChem CID 131215392) has the molecular formula C8H3BrFNO2S and a molecular weight of 276.09 g/mol. Its IUPAC name is 4-bromo-7-fluoro-6-nitro-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-7-fluoro-6-nitro-1-benzothiophene
PubChem CID131215392
Molecular FormulaC8H3BrFNO2S
Molecular Weight276.09 g/mol
Exact Mass274.91
IUPAC Name4-bromo-7-fluoro-6-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc(Br)c2ccsc2c1F
InChIInChI=1S/C8H3BrFNO2S/c9-5-3-6(11(12)13)7(10)8-4(5)1-2-14-8/h1-3H
InChIKeyARQWQWWMCWVREW-UHFFFAOYSA-N
XLogP3.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 53.71
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

6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
5-bromo-4-fluoro-1-benzothiophene-7-thiol
CID 131031238
1-bromo-2-[bromo(difluoro)methoxy]-3,4-difluoro-5-nitrobenzene
CID 178163679
5-bromo-6-nitro-1-benzothiophene-4-thiol
CID 130884239
4-chloro-5-nitro-1-benzothiophene-7-thiol
CID 130955754
4-bromo-7-fluoro-1-benzothiophene
CID 22474138
4-methyl-6-nitro-1-benzothiophen-7-ol
CID 130866337
6-bromo-2-fluoro-3-nitrobenzenethiol
CID 130730617
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
4-bromo-6-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130855113
7-fluoro-6-methyl-1-benzothiophene-4-carbonitrile
CID 131215711
1-bromo-2,4,5-trinitrobenzene
CID 13333986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-6-nitro-1-benzothiophene?
The IUPAC name of 4-bromo-7-fluoro-6-nitro-1-benzothiophene (CID 131215392) is 4-bromo-7-fluoro-6-nitro-1-benzothiophene.
What is the SMILES notation for 4-bromo-7-fluoro-6-nitro-1-benzothiophene?
The canonical SMILES for 4-bromo-7-fluoro-6-nitro-1-benzothiophene is O=[N+]([O-])c1cc(Br)c2ccsc2c1F.
What is the InChIKey of 4-bromo-7-fluoro-6-nitro-1-benzothiophene?
The InChIKey is ARQWQWWMCWVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO2S/c9-5-3-6(11(12)13)7(10)8-4(5)1-2-14-8/h1-3H.
What are the key properties of 4-bromo-7-fluoro-6-nitro-1-benzothiophene?
4-bromo-7-fluoro-6-nitro-1-benzothiophene has a molecular weight of 276.09 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-6-nitro-1-benzothiophene is sourced from PubChem (CID 131215392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).