5-amino-2-hydroxybenzoic acid;methanol

C8H11NO4 — CID 143451983

IUPAC5-amino-2-hydroxybenzoic acid;methanol
SMILESCO.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,9H,8H2,(H,10,11);2H,1H3
InChIKeyCNPPBGZJPGWJPP-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.28
Rot. Bonds1

About 5-amino-2-hydroxybenzoic acid;methanol

5-amino-2-hydroxybenzoic acid;methanol (PubChem CID 143451983) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;methanol.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;methanol
PubChem CID143451983
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name5-amino-2-hydroxybenzoic acid;methanol
SMILESCO.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,9H,8H2,(H,10,11);2H,1H3
InChIKeyCNPPBGZJPGWJPP-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.28
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'}

Analyze 5-amino-2-hydroxybenzoic acid;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
2,5-dihydroxybenzoic acid;methanol
CID 174970806
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid
CID 175522793
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 67674398
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;methanol?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;methanol (CID 143451983) is 5-amino-2-hydroxybenzoic acid;methanol.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;methanol?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;methanol is CO.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;methanol?
The InChIKey is CNPPBGZJPGWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,9H,8H2,(H,10,11);2H,1H3.
What are the key properties of 5-amino-2-hydroxybenzoic acid;methanol?
5-amino-2-hydroxybenzoic acid;methanol has a molecular weight of 185.18 g/mol, XLogP of 0.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxybenzoic acid;methanol is sourced from PubChem (CID 143451983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).