2-iodo-9-oxo-10H-acridine-4-carboxylic acid

C14H8INO3 — CID 59228731

IUPAC2-iodo-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C14H8INO3/c15-7-5-9-12(10(6-7)14(18)19)16-11-4-2-1-3-8(11)13(9)17/h1-6H,(H,16,17)(H,18,19)
InChIKeyJRNBYAFDWBNYLA-UHFFFAOYSA-N
MW365.13 g/mol
LogP2.98
Rot. Bonds1

About 2-iodo-9-oxo-10H-acridine-4-carboxylic acid

2-iodo-9-oxo-10H-acridine-4-carboxylic acid (PubChem CID 59228731) has the molecular formula C14H8INO3 and a molecular weight of 365.13 g/mol. Its IUPAC name is 2-iodo-9-oxo-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name2-iodo-9-oxo-10H-acridine-4-carboxylic acid
PubChem CID59228731
Molecular FormulaC14H8INO3
Molecular Weight365.13 g/mol
Exact Mass364.95
IUPAC Name2-iodo-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C14H8INO3/c15-7-5-9-12(10(6-7)14(18)19)16-11-4-2-1-3-8(11)13(9)17/h1-6H,(H,16,17)(H,18,19)
InChIKeyJRNBYAFDWBNYLA-UHFFFAOYSA-N
XLogP2.98
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-9-oxo-10H-acridine-4-carboxylic acid?
The IUPAC name of 2-iodo-9-oxo-10H-acridine-4-carboxylic acid (CID 59228731) is 2-iodo-9-oxo-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 2-iodo-9-oxo-10H-acridine-4-carboxylic acid?
The canonical SMILES for 2-iodo-9-oxo-10H-acridine-4-carboxylic acid is O=C(O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 2-iodo-9-oxo-10H-acridine-4-carboxylic acid?
The InChIKey is JRNBYAFDWBNYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO3/c15-7-5-9-12(10(6-7)14(18)19)16-11-4-2-1-3-8(11)13(9)17/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-iodo-9-oxo-10H-acridine-4-carboxylic acid?
2-iodo-9-oxo-10H-acridine-4-carboxylic acid has a molecular weight of 365.13 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-9-oxo-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 59228731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).