4-(azidomethyl)-2-bromofuran

C5H4BrN3O — CID 130746982

IUPAC4-(azidomethyl)-2-bromofuran
SMILES[N-]=[N+]=NCc1coc(Br)c1
InChIInChI=1S/C5H4BrN3O/c6-5-1-4(3-10-5)2-8-9-7/h1,3H,2H2
InChIKeyINANWEQZIYOKSI-UHFFFAOYSA-N
MW202.01 g/mol
LogP2.85
Rot. Bonds2

About 4-(azidomethyl)-2-bromofuran

4-(azidomethyl)-2-bromofuran (PubChem CID 130746982) has the molecular formula C5H4BrN3O and a molecular weight of 202.01 g/mol. Its IUPAC name is 4-(azidomethyl)-2-bromofuran.

Molecular Properties

Compound Name4-(azidomethyl)-2-bromofuran
PubChem CID130746982
Molecular FormulaC5H4BrN3O
Molecular Weight202.01 g/mol
Exact Mass200.95
IUPAC Name4-(azidomethyl)-2-bromofuran
SMILES[N-]=[N+]=NCc1coc(Br)c1
InChIInChI=1S/C5H4BrN3O/c6-5-1-4(3-10-5)2-8-9-7/h1,3H,2H2
InChIKeyINANWEQZIYOKSI-UHFFFAOYSA-N
XLogP2.85
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 2736816
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1-[(5-bromofuran-3-yl)methyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-2-bromofuran?
The IUPAC name of 4-(azidomethyl)-2-bromofuran (CID 130746982) is 4-(azidomethyl)-2-bromofuran.
What is the SMILES notation for 4-(azidomethyl)-2-bromofuran?
The canonical SMILES for 4-(azidomethyl)-2-bromofuran is [N-]=[N+]=NCc1coc(Br)c1.
What is the InChIKey of 4-(azidomethyl)-2-bromofuran?
The InChIKey is INANWEQZIYOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O/c6-5-1-4(3-10-5)2-8-9-7/h1,3H,2H2.
What are the key properties of 4-(azidomethyl)-2-bromofuran?
4-(azidomethyl)-2-bromofuran has a molecular weight of 202.01 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2-bromofuran is sourced from PubChem (CID 130746982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).