2-[(E)-2-bromoethenyl]-5-nitrofuran

C6H4BrNO3 — CID 6382691

IUPAC2-[(E)-2-bromoethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C/Br)o1
InChIInChI=1S/C6H4BrNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+
InChIKeyDWHDJUJHFAUWFM-ONEGZZNKSA-N
MW218.01 g/mol
LogP2.55
Rot. Bonds2

About 2-[(E)-2-bromoethenyl]-5-nitrofuran

2-[(E)-2-bromoethenyl]-5-nitrofuran (PubChem CID 6382691) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-5-nitrofuran
PubChem CID6382691
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name2-[(E)-2-bromoethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C/Br)o1
InChIInChI=1S/C6H4BrNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+
InChIKeyDWHDJUJHFAUWFM-ONEGZZNKSA-N
XLogP2.55
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.55
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

Nifuroxime
CID 5373493
5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furaldoxime
CID 6478035
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
2-Acetyl-5-nitrofuran
CID 21348
5-Nitrofurfuryl alcohol
CID 17230
5-Nitro-2-furonitrile
CID 94881
2-Furancarboxaldehyde, 5-nitro-, hydrazone (9CI)
CID 9561450

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-5-nitrofuran?
The IUPAC name of 2-[(E)-2-bromoethenyl]-5-nitrofuran (CID 6382691) is 2-[(E)-2-bromoethenyl]-5-nitrofuran.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-5-nitrofuran?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-5-nitrofuran is O=[N+]([O-])c1ccc(/C=C/Br)o1.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-5-nitrofuran?
The InChIKey is DWHDJUJHFAUWFM-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H4BrNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+.
What are the key properties of 2-[(E)-2-bromoethenyl]-5-nitrofuran?
2-[(E)-2-bromoethenyl]-5-nitrofuran has a molecular weight of 218.01 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-5-nitrofuran is sourced from PubChem (CID 6382691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).