3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid

C13H10N4O3 — CID 154293226

IUPAC3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid
SMILES[N-]=[N+]=Nc1cc(N)c(-c2ccc(O)cc2)c(C(=O)O)c1
InChIInChI=1S/C13H10N4O3/c14-11-6-8(16-17-15)5-10(13(19)20)12(11)7-1-3-9(18)4-2-7/h1-6,18H,14H2,(H,19,20)
InChIKeyBFQBNROHEQNYFZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.28
Rot. Bonds3

About 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid

3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid (PubChem CID 154293226) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid
PubChem CID154293226
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid
SMILES[N-]=[N+]=Nc1cc(N)c(-c2ccc(O)cc2)c(C(=O)O)c1
InChIInChI=1S/C13H10N4O3/c14-11-6-8(16-17-15)5-10(13(19)20)12(11)7-1-3-9(18)4-2-7/h1-6,18H,14H2,(H,19,20)
InChIKeyBFQBNROHEQNYFZ-UHFFFAOYSA-N
XLogP3.28
TPSA132.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid?
The IUPAC name of 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid (CID 154293226) is 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid is [N-]=[N+]=Nc1cc(N)c(-c2ccc(O)cc2)c(C(=O)O)c1.
What is the InChIKey of 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid?
The InChIKey is BFQBNROHEQNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c14-11-6-8(16-17-15)5-10(13(19)20)12(11)7-1-3-9(18)4-2-7/h1-6,18H,14H2,(H,19,20).
What are the key properties of 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid?
3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid has a molecular weight of 270.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 154293226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).