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

C6H4BrNO3 — CID 6081936

IUPAC2-[(Z)-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-ARJAWSKDSA-N
MW218.01 g/mol
LogP2.55
Rot. Bonds2

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

2-[(Z)-2-bromoethenyl]-5-nitrofuran (PubChem CID 6081936) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 2-[(Z)-2-bromoethenyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[(Z)-2-bromoethenyl]-5-nitrofuran
PubChem CID6081936
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name2-[(Z)-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-ARJAWSKDSA-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

2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromoethenyl]-5-nitrofuran?
The IUPAC name of 2-[(Z)-2-bromoethenyl]-5-nitrofuran (CID 6081936) is 2-[(Z)-2-bromoethenyl]-5-nitrofuran.
What is the SMILES notation for 2-[(Z)-2-bromoethenyl]-5-nitrofuran?
The canonical SMILES for 2-[(Z)-2-bromoethenyl]-5-nitrofuran is O=[N+]([O-])c1ccc(/C=C\Br)o1.
What is the InChIKey of 2-[(Z)-2-bromoethenyl]-5-nitrofuran?
The InChIKey is DWHDJUJHFAUWFM-ARJAWSKDSA-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-[(Z)-2-bromoethenyl]-5-nitrofuran?
2-[(Z)-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-[(Z)-2-bromoethenyl]-5-nitrofuran is sourced from PubChem (CID 6081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).