2-(1-bromoethenyl)-5-nitrofuran

C6H4BrNO3 — CID 151316917

IUPAC2-(1-bromoethenyl)-5-nitrofuran
SMILESC=C(Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4BrNO3/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2
InChIKeyOFPYJCBKSBUZBC-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-bromoethenyl)-5-nitrofuran

2-(1-bromoethenyl)-5-nitrofuran (PubChem CID 151316917) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 2-(1-bromoethenyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(1-bromoethenyl)-5-nitrofuran
PubChem CID151316917
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name2-(1-bromoethenyl)-5-nitrofuran
SMILESC=C(Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4BrNO3/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2
InChIKeyOFPYJCBKSBUZBC-UHFFFAOYSA-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

trimethyl-[1-(5-nitrofuran-2-yl)ethenyl]azanium
CID 88768662
trimethyl-[1-(5-nitrofuran-2-yl)ethenyl]azanium bromide
CID 88768661
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide
CID 173450252
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
CID 21116929
(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone
CID 65279432

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethenyl)-5-nitrofuran?
The IUPAC name of 2-(1-bromoethenyl)-5-nitrofuran (CID 151316917) is 2-(1-bromoethenyl)-5-nitrofuran.
What is the SMILES notation for 2-(1-bromoethenyl)-5-nitrofuran?
The canonical SMILES for 2-(1-bromoethenyl)-5-nitrofuran is C=C(Br)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(1-bromoethenyl)-5-nitrofuran?
The InChIKey is OFPYJCBKSBUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO3/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2.
What are the key properties of 2-(1-bromoethenyl)-5-nitrofuran?
2-(1-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-(1-bromoethenyl)-5-nitrofuran is sourced from PubChem (CID 151316917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).