4-amino-5-cyano-2-hydroxybenzoic acid

C8H6N2O3 — CID 12565197

IUPAC4-amino-5-cyano-2-hydroxybenzoic acid
SMILESN#Cc1cc(C(=O)O)c(O)cc1N
InChIInChI=1S/C8H6N2O3/c9-3-4-1-5(8(12)13)7(11)2-6(4)10/h1-2,11H,10H2,(H,12,13)
InChIKeyIEBSIOLXESUWCZ-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.54
Rot. Bonds1

About 4-amino-5-cyano-2-hydroxybenzoic acid

4-amino-5-cyano-2-hydroxybenzoic acid (PubChem CID 12565197) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-amino-5-cyano-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-amino-5-cyano-2-hydroxybenzoic acid
PubChem CID12565197
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4-amino-5-cyano-2-hydroxybenzoic acid
SMILESN#Cc1cc(C(=O)O)c(O)cc1N
InChIInChI=1S/C8H6N2O3/c9-3-4-1-5(8(12)13)7(11)2-6(4)10/h1-2,11H,10H2,(H,12,13)
InChIKeyIEBSIOLXESUWCZ-UHFFFAOYSA-N
XLogP0.54
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Aminosalicylic Acid
CID 4649
Aminosalicylate sodium anhydrous
CID 2724368
Aminosalicylate Sodium
CID 16211148
p-Aminosalicylic Acid Monopotassium Salt
CID 23690428
Methyl p-aminosalicylate
CID 77787
Aminosalicylate Calcium
CID 54684690
4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid
CID 459347
4-Amino-5-fluoro-2-hydroxybenzoic acid
CID 470323
Sodium;4-amino-2-hydroxybenzoate;hydrate
CID 25102424
4-Guanidino-2-hydroxybenzoic acid
CID 12988736
4-Azido-2-hydroxy-benzoic Acid
CID 3006162
Isonicotinic acid hydrazide P-aminosalicylate salt
CID 11988145

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-hydroxybenzoic acid?
The IUPAC name of 4-amino-5-cyano-2-hydroxybenzoic acid (CID 12565197) is 4-amino-5-cyano-2-hydroxybenzoic acid.
What is the SMILES notation for 4-amino-5-cyano-2-hydroxybenzoic acid?
The canonical SMILES for 4-amino-5-cyano-2-hydroxybenzoic acid is N#Cc1cc(C(=O)O)c(O)cc1N.
What is the InChIKey of 4-amino-5-cyano-2-hydroxybenzoic acid?
The InChIKey is IEBSIOLXESUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-3-4-1-5(8(12)13)7(11)2-6(4)10/h1-2,11H,10H2,(H,12,13).
What are the key properties of 4-amino-5-cyano-2-hydroxybenzoic acid?
4-amino-5-cyano-2-hydroxybenzoic acid has a molecular weight of 178.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-hydroxybenzoic acid is sourced from PubChem (CID 12565197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).