2-bromo-5-(2-nitroethenyl)thiophene

C6H4BrNO2S — CID 54399398

IUPAC2-bromo-5-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1ccc(Br)s1
InChIInChI=1S/C6H4BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H
InChIKeyVMIGRGQTEFNKMW-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.76
Rot. Bonds2

About 2-bromo-5-(2-nitroethenyl)thiophene

2-bromo-5-(2-nitroethenyl)thiophene (PubChem CID 54399398) has the molecular formula C6H4BrNO2S and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-bromo-5-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-nitroethenyl)thiophene
PubChem CID54399398
Molecular FormulaC6H4BrNO2S
Molecular Weight234.07 g/mol
Exact Mass232.91
IUPAC Name2-bromo-5-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1ccc(Br)s1
InChIInChI=1S/C6H4BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H
InChIKeyVMIGRGQTEFNKMW-UHFFFAOYSA-N
XLogP2.76
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-nitroethenyl)thiophene?
The IUPAC name of 2-bromo-5-(2-nitroethenyl)thiophene (CID 54399398) is 2-bromo-5-(2-nitroethenyl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-nitroethenyl)thiophene?
The canonical SMILES for 2-bromo-5-(2-nitroethenyl)thiophene is O=[N+]([O-])C=Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-nitroethenyl)thiophene?
The InChIKey is VMIGRGQTEFNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H.
What are the key properties of 2-bromo-5-(2-nitroethenyl)thiophene?
2-bromo-5-(2-nitroethenyl)thiophene has a molecular weight of 234.07 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-nitroethenyl)thiophene is sourced from PubChem (CID 54399398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).