7-bromo-5-nitro-1-benzofuran

C8H4BrNO3 — CID 22144877

IUPAC7-bromo-5-nitro-1-benzofuran
SMILESO=[N+]([O-])c1cc(Br)c2occc2c1
InChIInChI=1S/C8H4BrNO3/c9-7-4-6(10(11)12)3-5-1-2-13-8(5)7/h1-4H
InChIKeyIVLIXOREUPTURA-UHFFFAOYSA-N
MW242.03 g/mol
LogP3.10
Rot. Bonds1

About 7-bromo-5-nitro-1-benzofuran

7-bromo-5-nitro-1-benzofuran (PubChem CID 22144877) has the molecular formula C8H4BrNO3 and a molecular weight of 242.03 g/mol. Its IUPAC name is 7-bromo-5-nitro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-nitro-1-benzofuran
PubChem CID22144877
Molecular FormulaC8H4BrNO3
Molecular Weight242.03 g/mol
Exact Mass240.94
IUPAC Name7-bromo-5-nitro-1-benzofuran
SMILESO=[N+]([O-])c1cc(Br)c2occc2c1
InChIInChI=1S/C8H4BrNO3/c9-7-4-6(10(11)12)3-5-1-2-13-8(5)7/h1-4H
InChIKeyIVLIXOREUPTURA-UHFFFAOYSA-N
XLogP3.10
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 53.10
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

7-bromo-5-ethyl-1-benzofuran
CID 84689558
7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
CID 66893202
8-bromo-2-chloro-6-nitroquinoline
CID 170331788
[1-(5-nitro-1-benzofuran-7-yl)piperidin-4-yl]carbamic acid
CID 66892145
3-bromo-2-(furan-2-yl)-5-nitrobenzonitrile
CID 168528533
tert-butyl N-[1-(5-nitro-1-benzofuran-7-yl)propan-2-yl]carbamate
CID 22144745
5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;ethane;tris(5-methyl-1-benzofuran);5-nitro-1-benzofuran
CID 162209511
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
7-(3-nitrophenyl)-5-phenoxy-1-benzofuran
CID 70063370
5-bromo-7-nitro-1-benzofuran;5-bromo-7-nitro-1-benzofuran-3-carboxylic acid
CID 159786507
tert-butyl 4-[(5-nitro-1-benzofuran-7-yl)methyl]piperazine-1-carboxylate
CID 66893515

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-nitro-1-benzofuran?
The IUPAC name of 7-bromo-5-nitro-1-benzofuran (CID 22144877) is 7-bromo-5-nitro-1-benzofuran.
What is the SMILES notation for 7-bromo-5-nitro-1-benzofuran?
The canonical SMILES for 7-bromo-5-nitro-1-benzofuran is O=[N+]([O-])c1cc(Br)c2occc2c1.
What is the InChIKey of 7-bromo-5-nitro-1-benzofuran?
The InChIKey is IVLIXOREUPTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3/c9-7-4-6(10(11)12)3-5-1-2-13-8(5)7/h1-4H.
What are the key properties of 7-bromo-5-nitro-1-benzofuran?
7-bromo-5-nitro-1-benzofuran has a molecular weight of 242.03 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-nitro-1-benzofuran is sourced from PubChem (CID 22144877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).