2-bromo-5-(2-nitroethyl)thiophene

C6H6BrNO2S — CID 14929134

IUPAC2-bromo-5-(2-nitroethyl)thiophene
SMILESO=[N+]([O-])CCc1ccc(Br)s1
InChIInChI=1S/C6H6BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-2H,3-4H2
InChIKeyGUEKSOHNPAWOOW-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.33
Rot. Bonds3

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

2-bromo-5-(2-nitroethyl)thiophene (PubChem CID 14929134) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-bromo-5-(2-nitroethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-nitroethyl)thiophene
PubChem CID14929134
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name2-bromo-5-(2-nitroethyl)thiophene
SMILESO=[N+]([O-])CCc1ccc(Br)s1
InChIInChI=1S/C6H6BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-2H,3-4H2
InChIKeyGUEKSOHNPAWOOW-UHFFFAOYSA-N
XLogP2.33
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.33
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

N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095288
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N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitrobenzamide
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N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586
(5-bromothiophen-2-yl)methanesulfinate
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2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
1,3-bis(5-bromothiophen-2-yl)propan-1-one
CID 71671757
2-bromo-5-[(3-methyl-2-nitrophenoxy)methyl]thiophene
CID 54942329
1-[(5-bromothiophen-2-yl)methyl]-4-(4-nitrophenyl)piperazine
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2-bromo-5-(nitrosomethyl)thiophene
CID 57157580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-nitroethyl)thiophene?
The IUPAC name of 2-bromo-5-(2-nitroethyl)thiophene (CID 14929134) is 2-bromo-5-(2-nitroethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-nitroethyl)thiophene?
The canonical SMILES for 2-bromo-5-(2-nitroethyl)thiophene is O=[N+]([O-])CCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-nitroethyl)thiophene?
The InChIKey is GUEKSOHNPAWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-2H,3-4H2.
What are the key properties of 2-bromo-5-(2-nitroethyl)thiophene?
2-bromo-5-(2-nitroethyl)thiophene has a molecular weight of 236.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-nitroethyl)thiophene is sourced from PubChem (CID 14929134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).