2-azidooxybenzaldehyde

C7H5N3O2 — CID 56623850

IUPAC2-azidooxybenzaldehyde
SMILES[N-]=[N+]=NOc1ccccc1C=O
InChIInChI=1S/C7H5N3O2/c8-9-10-12-7-4-2-1-3-6(7)5-11/h1-5H
InChIKeyTYMGXZCLAQCLCN-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.10
Rot. Bonds3

About 2-azidooxybenzaldehyde

2-azidooxybenzaldehyde (PubChem CID 56623850) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-azidooxybenzaldehyde.

Molecular Properties

Compound Name2-azidooxybenzaldehyde
PubChem CID56623850
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name2-azidooxybenzaldehyde
SMILES[N-]=[N+]=NOc1ccccc1C=O
InChIInChI=1S/C7H5N3O2/c8-9-10-12-7-4-2-1-3-6(7)5-11/h1-5H
InChIKeyTYMGXZCLAQCLCN-UHFFFAOYSA-N
XLogP2.10
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 8658
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CID 252612
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CID 587788
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CID 345554
CID 345554
CID 2779374
CID 2779374
CID 5287463
CID 5287463
CID 12023200
CID 12023200
CID 66178
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CID 2737327
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CID 2737328
CID 2737328

Frequently Asked Questions

What is the IUPAC name of 2-azidooxybenzaldehyde?
The IUPAC name of 2-azidooxybenzaldehyde (CID 56623850) is 2-azidooxybenzaldehyde.
What is the SMILES notation for 2-azidooxybenzaldehyde?
The canonical SMILES for 2-azidooxybenzaldehyde is [N-]=[N+]=NOc1ccccc1C=O.
What is the InChIKey of 2-azidooxybenzaldehyde?
The InChIKey is TYMGXZCLAQCLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-9-10-12-7-4-2-1-3-6(7)5-11/h1-5H.
What are the key properties of 2-azidooxybenzaldehyde?
2-azidooxybenzaldehyde has a molecular weight of 163.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidooxybenzaldehyde is sourced from PubChem (CID 56623850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).