2-[(Z)-2-bromo-2-nitroethenyl]furan

C6H4BrNO3 — CID 14993941

IUPAC2-[(Z)-2-bromo-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C(Br)=C/c1ccco1
InChIInChI=1S/C6H4BrNO3/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyMWBCFEHXWNHTDU-GQCTYLIASA-N
MW218.01 g/mol
LogP2.25
Rot. Bonds2

About 2-[(Z)-2-bromo-2-nitroethenyl]furan

2-[(Z)-2-bromo-2-nitroethenyl]furan (PubChem CID 14993941) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-[(Z)-2-bromo-2-nitroethenyl]furan
PubChem CID14993941
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name2-[(Z)-2-bromo-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C(Br)=C/c1ccco1
InChIInChI=1S/C6H4BrNO3/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyMWBCFEHXWNHTDU-GQCTYLIASA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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-[(Z)-2-bromo-2-nitroethenyl]furan?
The IUPAC name of 2-[(Z)-2-bromo-2-nitroethenyl]furan (CID 14993941) is 2-[(Z)-2-bromo-2-nitroethenyl]furan.
What is the SMILES notation for 2-[(Z)-2-bromo-2-nitroethenyl]furan?
The canonical SMILES for 2-[(Z)-2-bromo-2-nitroethenyl]furan is O=[N+]([O-])/C(Br)=C/c1ccco1.
What is the InChIKey of 2-[(Z)-2-bromo-2-nitroethenyl]furan?
The InChIKey is MWBCFEHXWNHTDU-GQCTYLIASA-N. The full InChI is InChI=1S/C6H4BrNO3/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+.
What are the key properties of 2-[(Z)-2-bromo-2-nitroethenyl]furan?
2-[(Z)-2-bromo-2-nitroethenyl]furan has a molecular weight of 218.01 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-2-nitroethenyl]furan is sourced from PubChem (CID 14993941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).