3-azido-5-formyloxybenzoic acid

C8H5N3O4 — CID 118214775

IUPAC3-azido-5-formyloxybenzoic acid
SMILES[N-]=[N+]=Nc1cc(OC=O)cc(C(=O)O)c1
InChIInChI=1S/C8H5N3O4/c9-11-10-6-1-5(8(13)14)2-7(3-6)15-4-12/h1-4H,(H,13,14)
InChIKeyJBOWSAQMIRLURU-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.86
Rot. Bonds4

About 3-azido-5-formyloxybenzoic acid

3-azido-5-formyloxybenzoic acid (PubChem CID 118214775) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-azido-5-formyloxybenzoic acid.

Molecular Properties

Compound Name3-azido-5-formyloxybenzoic acid
PubChem CID118214775
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name3-azido-5-formyloxybenzoic acid
SMILES[N-]=[N+]=Nc1cc(OC=O)cc(C(=O)O)c1
InChIInChI=1S/C8H5N3O4/c9-11-10-6-1-5(8(13)14)2-7(3-6)15-4-12/h1-4H,(H,13,14)
InChIKeyJBOWSAQMIRLURU-UHFFFAOYSA-N
XLogP1.86
TPSA112.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-5-formyloxybenzoic acid?
The IUPAC name of 3-azido-5-formyloxybenzoic acid (CID 118214775) is 3-azido-5-formyloxybenzoic acid.
What is the SMILES notation for 3-azido-5-formyloxybenzoic acid?
The canonical SMILES for 3-azido-5-formyloxybenzoic acid is [N-]=[N+]=Nc1cc(OC=O)cc(C(=O)O)c1.
What is the InChIKey of 3-azido-5-formyloxybenzoic acid?
The InChIKey is JBOWSAQMIRLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c9-11-10-6-1-5(8(13)14)2-7(3-6)15-4-12/h1-4H,(H,13,14).
What are the key properties of 3-azido-5-formyloxybenzoic acid?
3-azido-5-formyloxybenzoic acid has a molecular weight of 207.15 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-formyloxybenzoic acid is sourced from PubChem (CID 118214775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).