4-azido-2-hydroxybenzoic acid

C7H5N3O3 — CID 3006162

IUPAC4-azido-2-hydroxybenzoic acid
SMILES[N-]=[N+]=Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H5N3O3/c8-10-9-4-1-2-5(7(12)13)6(11)3-4/h1-3,11H,(H,12,13)
InChIKeyNLPWSMKACWGINL-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.03
Rot. Bonds2

About 4-azido-2-hydroxybenzoic acid

4-azido-2-hydroxybenzoic acid (PubChem CID 3006162) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-azido-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-azido-2-hydroxybenzoic acid
PubChem CID3006162
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name4-azido-2-hydroxybenzoic acid
SMILES[N-]=[N+]=Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H5N3O3/c8-10-9-4-1-2-5(7(12)13)6(11)3-4/h1-3,11H,(H,12,13)
InChIKeyNLPWSMKACWGINL-UHFFFAOYSA-N
XLogP2.03
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-azido-2-hydroxybenzoic acid?
The IUPAC name of 4-azido-2-hydroxybenzoic acid (CID 3006162) is 4-azido-2-hydroxybenzoic acid.
What is the SMILES notation for 4-azido-2-hydroxybenzoic acid?
The canonical SMILES for 4-azido-2-hydroxybenzoic acid is [N-]=[N+]=Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-azido-2-hydroxybenzoic acid?
The InChIKey is NLPWSMKACWGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c8-10-9-4-1-2-5(7(12)13)6(11)3-4/h1-3,11H,(H,12,13).
What are the key properties of 4-azido-2-hydroxybenzoic acid?
4-azido-2-hydroxybenzoic acid has a molecular weight of 179.14 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-hydroxybenzoic acid is sourced from PubChem (CID 3006162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).