2-acridin-1-ylbenzoic acid

C20H13NO2 — CID 22173959

IUPAC2-acridin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2nc3ccccc3cc12
InChIInChI=1S/C20H13NO2/c22-20(23)16-8-3-2-7-14(16)15-9-5-11-19-17(15)12-13-6-1-4-10-18(13)21-19/h1-12H,(H,22,23)
InChIKeyAAIVSORHCTUDSS-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.75
Rot. Bonds2

About 2-acridin-1-ylbenzoic acid

2-acridin-1-ylbenzoic acid (PubChem CID 22173959) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-acridin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-acridin-1-ylbenzoic acid
PubChem CID22173959
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-acridin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2nc3ccccc3cc12
InChIInChI=1S/C20H13NO2/c22-20(23)16-8-3-2-7-14(16)15-9-5-11-19-17(15)12-13-6-1-4-10-18(13)21-19/h1-12H,(H,22,23)
InChIKeyAAIVSORHCTUDSS-UHFFFAOYSA-N
XLogP4.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acridin-1-ylbenzoic acid?
The IUPAC name of 2-acridin-1-ylbenzoic acid (CID 22173959) is 2-acridin-1-ylbenzoic acid.
What is the SMILES notation for 2-acridin-1-ylbenzoic acid?
The canonical SMILES for 2-acridin-1-ylbenzoic acid is O=C(O)c1ccccc1-c1cccc2nc3ccccc3cc12.
What is the InChIKey of 2-acridin-1-ylbenzoic acid?
The InChIKey is AAIVSORHCTUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-20(23)16-8-3-2-7-14(16)15-9-5-11-19-17(15)12-13-6-1-4-10-18(13)21-19/h1-12H,(H,22,23).
What are the key properties of 2-acridin-1-ylbenzoic acid?
2-acridin-1-ylbenzoic acid has a molecular weight of 299.33 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-1-ylbenzoic acid is sourced from PubChem (CID 22173959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).