2,3-diamino-6-hydroxybenzoic acid

C7H8N2O3 — CID 53481637

IUPAC2,3-diamino-6-hydroxybenzoic acid
SMILESNc1ccc(O)c(C(=O)O)c1N
InChIInChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)
InChIKeyCGKSFNAGRBJNJO-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.25
Rot. Bonds1

About 2,3-diamino-6-hydroxybenzoic acid

2,3-diamino-6-hydroxybenzoic acid (PubChem CID 53481637) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2,3-diamino-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3-diamino-6-hydroxybenzoic acid
PubChem CID53481637
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2,3-diamino-6-hydroxybenzoic acid
SMILESNc1ccc(O)c(C(=O)O)c1N
InChIInChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)
InChIKeyCGKSFNAGRBJNJO-UHFFFAOYSA-N
XLogP0.25
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-Aminosalicylic Acid
CID 4075
Mesalamine Hydrochloride
CID 201587
5-Aminosalicylate
CID 54675840
5-(2-Carboxy-phenylazo)-2-hydroxy-benzoic acid
CID 307892
Sodium 5-amino-2-hydroxybenzoate
CID 23663686
2-Amino-6-hydroxybenzoic acid
CID 13409833
5-Amino-4-fluoro-2-hydroxybenzoic acid
CID 84653968
2-Amino-6-hydroxybenzoic acid hydrochloride
CID 13409834
Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)
CID 90149789
Amine 5-aminosalicylic acid
CID 19909449
1-(2-Amino-6-hydroxyphenyl)ethanone
CID 21514508
Diaminosalicylic acid
CID 66926755

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-6-hydroxybenzoic acid?
The IUPAC name of 2,3-diamino-6-hydroxybenzoic acid (CID 53481637) is 2,3-diamino-6-hydroxybenzoic acid.
What is the SMILES notation for 2,3-diamino-6-hydroxybenzoic acid?
The canonical SMILES for 2,3-diamino-6-hydroxybenzoic acid is Nc1ccc(O)c(C(=O)O)c1N.
What is the InChIKey of 2,3-diamino-6-hydroxybenzoic acid?
The InChIKey is CGKSFNAGRBJNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12).
What are the key properties of 2,3-diamino-6-hydroxybenzoic acid?
2,3-diamino-6-hydroxybenzoic acid has a molecular weight of 168.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-6-hydroxybenzoic acid is sourced from PubChem (CID 53481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).