ChemFOnt: Showing chemical card for 2-amino-4-hydroxybenzene-1-carboximidic acid (CFc000148872)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 23:30:14 UTC

Chemfont ID

CFc000148872

Molecule Identification

Common Name

2-amino-4-hydroxybenzene-1-carboximidic acid

Definition

2-AMINO-4-HYDROXYBENZAMIDE belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring. Based on a literature review very few articles have been published on 2-AMINO-4-HYDROXYBENZAMIDE.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₈N₂O₂

Average Molecular Weight

152.153

Monoisotopic Molecular Weight

152.058577506

IUPAC Name

2-amino-4-hydroxybenzene-1-carboximidic acid

Traditional Name

2-amino-4-hydroxybenzenecarboximidic acid

CAS Registry Number

Not Available

SMILES

NC1=C(C=CC(O)=C1)C(O)=N

InChI Identifier

InChI=1S/C7H8N2O2/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3,10H,8H2,(H2,9,11)

InChI Key

QKLKEDYLVISGDX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Anthranilamides

Alternative Parents

Substituents

Anthranilamide
Aminobenzamide
Aminobenzoic acid or derivatives
2-aminobenzamide
M-aminophenol
Aminophenol
Aniline or substituted anilines
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
Vinylogous amide
Amino acid or derivatives
Primary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	1.3 g/L	ALOGPS
logP	-0.21	ALOGPS
logP	0.51	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	8.64	ChemAxon
pKa (Strongest Basic)	6.59	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	90.33 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	52.75 m³·mol⁻¹	ChemAxon
Polarizability	14.84 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0168464

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

15102569

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

20501428

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 2-amino-4-hydroxybenzene-1-carboximidic acid (CFc000148872)

MOL for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

3D MOL for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

3D SDF for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

3D-SDF for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

PDB for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

3D PDB for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

SMILES for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

INCHI for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

Structure for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)

3D Structure for CFc000148872 (2-amino-4-hydroxybenzene-1-carboximidic acid)