2-iodo-10H-acridin-9-one

C13H8INO — CID 2967426

IUPAC2-iodo-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccc(I)cc12
InChIInChI=1S/C13H8INO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16)
InChIKeyXETGIKUBHYTPOH-UHFFFAOYSA-N
MW321.12 g/mol
LogP3.29
Rot. Bonds

About 2-iodo-10H-acridin-9-one

2-iodo-10H-acridin-9-one (PubChem CID 2967426) has the molecular formula C13H8INO and a molecular weight of 321.12 g/mol. Its IUPAC name is 2-iodo-10H-acridin-9-one.

Molecular Properties

Compound Name2-iodo-10H-acridin-9-one
PubChem CID2967426
Molecular FormulaC13H8INO
Molecular Weight321.12 g/mol
Exact Mass320.97
IUPAC Name2-iodo-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccc(I)cc12
InChIInChI=1S/C13H8INO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16)
InChIKeyXETGIKUBHYTPOH-UHFFFAOYSA-N
XLogP3.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-10H-acridin-9-one?
The IUPAC name of 2-iodo-10H-acridin-9-one (CID 2967426) is 2-iodo-10H-acridin-9-one.
What is the SMILES notation for 2-iodo-10H-acridin-9-one?
The canonical SMILES for 2-iodo-10H-acridin-9-one is O=c1c2ccccc2[nH]c2ccc(I)cc12.
What is the InChIKey of 2-iodo-10H-acridin-9-one?
The InChIKey is XETGIKUBHYTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8INO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16).
What are the key properties of 2-iodo-10H-acridin-9-one?
2-iodo-10H-acridin-9-one has a molecular weight of 321.12 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-10H-acridin-9-one is sourced from PubChem (CID 2967426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).