2-amino-3-hydroxybenzoic acid

C7H7NO3 — CID 86

IUPAC2-amino-3-hydroxybenzoic acid
SMILESNc1c(O)cccc1C(=O)O
InChIInChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKeyWJXSWCUQABXPFS-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.67
Rot. Bonds1

About 2-amino-3-hydroxybenzoic acid

2-amino-3-hydroxybenzoic acid (PubChem CID 86) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-amino-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybenzoic acid
PubChem CID86
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-amino-3-hydroxybenzoic acid
SMILESNc1c(O)cccc1C(=O)O
InChIInChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKeyWJXSWCUQABXPFS-UHFFFAOYSA-N
XLogP0.67
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybenzoic acid?
The IUPAC name of 2-amino-3-hydroxybenzoic acid (CID 86) is 2-amino-3-hydroxybenzoic acid.
What is the SMILES notation for 2-amino-3-hydroxybenzoic acid?
The canonical SMILES for 2-amino-3-hydroxybenzoic acid is Nc1c(O)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybenzoic acid?
The InChIKey is WJXSWCUQABXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11).
What are the key properties of 2-amino-3-hydroxybenzoic acid?
2-amino-3-hydroxybenzoic acid has a molecular weight of 153.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybenzoic acid is sourced from PubChem (CID 86), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).