5-(3-aminophenyl)-2-hydroxybenzoic acid

C13H11NO3 — CID 10955342

IUPAC5-(3-aminophenyl)-2-hydroxybenzoic acid
SMILESNc1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16)17/h1-7,15H,14H2,(H,16,17)
InChIKeyRNGXGPRZUCQNDD-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.34
Rot. Bonds2

About 5-(3-aminophenyl)-2-hydroxybenzoic acid

5-(3-aminophenyl)-2-hydroxybenzoic acid (PubChem CID 10955342) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(3-aminophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-aminophenyl)-2-hydroxybenzoic acid
PubChem CID10955342
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name5-(3-aminophenyl)-2-hydroxybenzoic acid
SMILESNc1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16)17/h1-7,15H,14H2,(H,16,17)
InChIKeyRNGXGPRZUCQNDD-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-aminophenyl)-2-hydroxybenzoic acid (CID 10955342) is 5-(3-aminophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-aminophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-aminophenyl)-2-hydroxybenzoic acid is Nc1cccc(-c2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-aminophenyl)-2-hydroxybenzoic acid?
The InChIKey is RNGXGPRZUCQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16)17/h1-7,15H,14H2,(H,16,17).
What are the key properties of 5-(3-aminophenyl)-2-hydroxybenzoic acid?
5-(3-aminophenyl)-2-hydroxybenzoic acid has a molecular weight of 229.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 10955342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).