6-chloro-1-oxo-2H-acridine-2-carboxylic acid

C14H8ClNO3 — CID 70563749

IUPAC6-chloro-1-oxo-2H-acridine-2-carboxylic acid
SMILESO=C(O)C1C=Cc2nc3cc(Cl)ccc3cc2C1=O
InChIInChI=1S/C14H8ClNO3/c15-8-2-1-7-5-10-11(16-12(7)6-8)4-3-9(13(10)17)14(18)19/h1-6,9H,(H,18,19)
InChIKeyAWJHXMAXTVFFOD-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.80
Rot. Bonds1

About 6-chloro-1-oxo-2H-acridine-2-carboxylic acid

6-chloro-1-oxo-2H-acridine-2-carboxylic acid (PubChem CID 70563749) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 6-chloro-1-oxo-2H-acridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-oxo-2H-acridine-2-carboxylic acid
PubChem CID70563749
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name6-chloro-1-oxo-2H-acridine-2-carboxylic acid
SMILESO=C(O)C1C=Cc2nc3cc(Cl)ccc3cc2C1=O
InChIInChI=1S/C14H8ClNO3/c15-8-2-1-7-5-10-11(16-12(7)6-8)4-3-9(13(10)17)14(18)19/h1-6,9H,(H,18,19)
InChIKeyAWJHXMAXTVFFOD-UHFFFAOYSA-N
XLogP2.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-oxo-2H-acridine-2-carboxylic acid?
The IUPAC name of 6-chloro-1-oxo-2H-acridine-2-carboxylic acid (CID 70563749) is 6-chloro-1-oxo-2H-acridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-oxo-2H-acridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-oxo-2H-acridine-2-carboxylic acid is O=C(O)C1C=Cc2nc3cc(Cl)ccc3cc2C1=O.
What is the InChIKey of 6-chloro-1-oxo-2H-acridine-2-carboxylic acid?
The InChIKey is AWJHXMAXTVFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-8-2-1-7-5-10-11(16-12(7)6-8)4-3-9(13(10)17)14(18)19/h1-6,9H,(H,18,19).
What are the key properties of 6-chloro-1-oxo-2H-acridine-2-carboxylic acid?
6-chloro-1-oxo-2H-acridine-2-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-oxo-2H-acridine-2-carboxylic acid is sourced from PubChem (CID 70563749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).