7-bromo-2-nitro-1-benzothiophen-4-ol

C8H4BrNO3S — CID 130883985

IUPAC7-bromo-2-nitro-1-benzothiophen-4-ol
SMILESO=[N+]([O-])c1cc2c(O)ccc(Br)c2s1
InChIInChI=1S/C8H4BrNO3S/c9-5-1-2-6(11)4-3-7(10(12)13)14-8(4)5/h1-3,11H
InChIKeyTVFXPDVZOKGWGK-UHFFFAOYSA-N
MW274.09 g/mol
LogP3.28
Rot. Bonds1

About 7-bromo-2-nitro-1-benzothiophen-4-ol

7-bromo-2-nitro-1-benzothiophen-4-ol (PubChem CID 130883985) has the molecular formula C8H4BrNO3S and a molecular weight of 274.09 g/mol. Its IUPAC name is 7-bromo-2-nitro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name7-bromo-2-nitro-1-benzothiophen-4-ol
PubChem CID130883985
Molecular FormulaC8H4BrNO3S
Molecular Weight274.09 g/mol
Exact Mass272.91
IUPAC Name7-bromo-2-nitro-1-benzothiophen-4-ol
SMILESO=[N+]([O-])c1cc2c(O)ccc(Br)c2s1
InChIInChI=1S/C8H4BrNO3S/c9-5-1-2-6(11)4-3-7(10(12)13)14-8(4)5/h1-3,11H
InChIKeyTVFXPDVZOKGWGK-UHFFFAOYSA-N
XLogP3.28
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-bromo-2-nitro-1-benzothiophen-6-ol
CID 131119356
2,4-dibromo-7-nitro-1-benzothiophene
CID 130826552
2-bromo-5-nitrophenol;ethane
CID 177010307
5-bromo-7-iodo-2-nitro-1-benzothiophene
CID 131054002
7-bromo-3-nitro-1-benzothiophen-2-amine
CID 130803429
4-bromo-2-methyl-7-nitro-1-benzothiophene
CID 130805694
2,3-diiodo-5-nitrothiophene
CID 10523854
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
4,7-dihydroxy-1-benzothiophene-2-sulfonamide
CID 21283475
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
2-bromo-5-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 115295852

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-nitro-1-benzothiophen-4-ol?
The IUPAC name of 7-bromo-2-nitro-1-benzothiophen-4-ol (CID 130883985) is 7-bromo-2-nitro-1-benzothiophen-4-ol.
What is the SMILES notation for 7-bromo-2-nitro-1-benzothiophen-4-ol?
The canonical SMILES for 7-bromo-2-nitro-1-benzothiophen-4-ol is O=[N+]([O-])c1cc2c(O)ccc(Br)c2s1.
What is the InChIKey of 7-bromo-2-nitro-1-benzothiophen-4-ol?
The InChIKey is TVFXPDVZOKGWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3S/c9-5-1-2-6(11)4-3-7(10(12)13)14-8(4)5/h1-3,11H.
What are the key properties of 7-bromo-2-nitro-1-benzothiophen-4-ol?
7-bromo-2-nitro-1-benzothiophen-4-ol has a molecular weight of 274.09 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-nitro-1-benzothiophen-4-ol is sourced from PubChem (CID 130883985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).