2-iodo-5-methyl-10H-acridin-9-one

C14H10INO — CID 59228699

IUPAC2-iodo-5-methyl-10H-acridin-9-one
SMILESCc1cccc2c(=O)c3cc(I)ccc3[nH]c12
InChIInChI=1S/C14H10INO/c1-8-3-2-4-10-13(8)16-12-6-5-9(15)7-11(12)14(10)17/h2-7H,1H3,(H,16,17)
InChIKeyBTIZYVQRQVOUTH-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.59
Rot. Bonds

About 2-iodo-5-methyl-10H-acridin-9-one

2-iodo-5-methyl-10H-acridin-9-one (PubChem CID 59228699) has the molecular formula C14H10INO and a molecular weight of 335.14 g/mol. Its IUPAC name is 2-iodo-5-methyl-10H-acridin-9-one.

Molecular Properties

Compound Name2-iodo-5-methyl-10H-acridin-9-one
PubChem CID59228699
Molecular FormulaC14H10INO
Molecular Weight335.14 g/mol
Exact Mass334.98
IUPAC Name2-iodo-5-methyl-10H-acridin-9-one
SMILESCc1cccc2c(=O)c3cc(I)ccc3[nH]c12
InChIInChI=1S/C14H10INO/c1-8-3-2-4-10-13(8)16-12-6-5-9(15)7-11(12)14(10)17/h2-7H,1H3,(H,16,17)
InChIKeyBTIZYVQRQVOUTH-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.59
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-5-methyl-10H-acridin-9-one?
The IUPAC name of 2-iodo-5-methyl-10H-acridin-9-one (CID 59228699) is 2-iodo-5-methyl-10H-acridin-9-one.
What is the SMILES notation for 2-iodo-5-methyl-10H-acridin-9-one?
The canonical SMILES for 2-iodo-5-methyl-10H-acridin-9-one is Cc1cccc2c(=O)c3cc(I)ccc3[nH]c12.
What is the InChIKey of 2-iodo-5-methyl-10H-acridin-9-one?
The InChIKey is BTIZYVQRQVOUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO/c1-8-3-2-4-10-13(8)16-12-6-5-9(15)7-11(12)14(10)17/h2-7H,1H3,(H,16,17).
What are the key properties of 2-iodo-5-methyl-10H-acridin-9-one?
2-iodo-5-methyl-10H-acridin-9-one has a molecular weight of 335.14 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-10H-acridin-9-one is sourced from PubChem (CID 59228699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).