3-azido-2-nitrofuran

C4H2N4O3 — CID 123647428

IUPAC3-azido-2-nitrofuran
SMILES[N-]=[N+]=Nc1ccoc1[N+](=O)[O-]
InChIInChI=1S/C4H2N4O3/c5-7-6-3-1-2-11-4(3)8(9)10/h1-2H
InChIKeyLYHHHTGEIOZSAU-UHFFFAOYSA-N
MW154.09 g/mol
LogP2.13
Rot. Bonds2

About 3-azido-2-nitrofuran

3-azido-2-nitrofuran (PubChem CID 123647428) has the molecular formula C4H2N4O3 and a molecular weight of 154.09 g/mol. Its IUPAC name is 3-azido-2-nitrofuran.

Molecular Properties

Compound Name3-azido-2-nitrofuran
PubChem CID123647428
Molecular FormulaC4H2N4O3
Molecular Weight154.09 g/mol
Exact Mass154.01
IUPAC Name3-azido-2-nitrofuran
SMILES[N-]=[N+]=Nc1ccoc1[N+](=O)[O-]
InChIInChI=1S/C4H2N4O3/c5-7-6-3-1-2-11-4(3)8(9)10/h1-2H
InChIKeyLYHHHTGEIOZSAU-UHFFFAOYSA-N
XLogP2.13
TPSA105.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dinitrofuran
CID 19879835
Furan-2,3-diamine
CID 21989049
2,4-Dinitrofuran
CID 119095399
3,5-Dinitrofuran-2-amine
CID 329470
4-Amino-4'-nitroazofurane
CID 129796531
2,3-Diisocyanatofuran
CID 87060320
Methyl-[2-(methyldiazenyl)furan-3-yl]diazene
CID 89362397
N-(2-nitrosofuran-3-yl)hydroxylamine
CID 130835152
2-Nitrofuran-3-amine
CID 148616957
3-Nitrofuran-2-amine
CID 149720198
(4,5-Dinitrofuran-3-yl)boronic acid
CID 151729220
3-Azido-4-nitrofuran
CID 152123562

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-nitrofuran?
The IUPAC name of 3-azido-2-nitrofuran (CID 123647428) is 3-azido-2-nitrofuran.
What is the SMILES notation for 3-azido-2-nitrofuran?
The canonical SMILES for 3-azido-2-nitrofuran is [N-]=[N+]=Nc1ccoc1[N+](=O)[O-].
What is the InChIKey of 3-azido-2-nitrofuran?
The InChIKey is LYHHHTGEIOZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O3/c5-7-6-3-1-2-11-4(3)8(9)10/h1-2H.
What are the key properties of 3-azido-2-nitrofuran?
3-azido-2-nitrofuran has a molecular weight of 154.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-nitrofuran is sourced from PubChem (CID 123647428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).