5-amino-2-hydroxybenzoic acid;azane

C7H10N2O3 — CID 19909449

IUPAC5-amino-2-hydroxybenzoic acid;azane
SMILESN.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H3
InChIKeyPNAHPSMNLKNYRL-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.83
Rot. Bonds1

About 5-amino-2-hydroxybenzoic acid;azane

5-amino-2-hydroxybenzoic acid;azane (PubChem CID 19909449) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;azane.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;azane
PubChem CID19909449
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-amino-2-hydroxybenzoic acid;azane
SMILESN.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H3
InChIKeyPNAHPSMNLKNYRL-UHFFFAOYSA-N
XLogP0.83
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;azane?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;azane (CID 19909449) is 5-amino-2-hydroxybenzoic acid;azane.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;azane?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;azane is N.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;azane?
The InChIKey is PNAHPSMNLKNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H3.
What are the key properties of 5-amino-2-hydroxybenzoic acid;azane?
5-amino-2-hydroxybenzoic acid;azane has a molecular weight of 170.17 g/mol, XLogP of 0.83, 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;azane is sourced from PubChem (CID 19909449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).