2-(iodomethyl)-6-methylquinoline

C11H10IN — CID 138975713

IUPAC2-(iodomethyl)-6-methylquinoline
SMILESCc1ccc2nc(CI)ccc2c1
InChIInChI=1S/C11H10IN/c1-8-2-5-11-9(6-8)3-4-10(7-12)13-11/h2-6H,7H2,1H3
InChIKeyNOMGSQGOLMOCQM-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.48
Rot. Bonds1

About 2-(iodomethyl)-6-methylquinoline

2-(iodomethyl)-6-methylquinoline (PubChem CID 138975713) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-(iodomethyl)-6-methylquinoline.

Molecular Properties

Compound Name2-(iodomethyl)-6-methylquinoline
PubChem CID138975713
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name2-(iodomethyl)-6-methylquinoline
SMILESCc1ccc2nc(CI)ccc2c1
InChIInChI=1S/C11H10IN/c1-8-2-5-11-9(6-8)3-4-10(7-12)13-11/h2-6H,7H2,1H3
InChIKeyNOMGSQGOLMOCQM-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-6-methylquinoline?
The IUPAC name of 2-(iodomethyl)-6-methylquinoline (CID 138975713) is 2-(iodomethyl)-6-methylquinoline.
What is the SMILES notation for 2-(iodomethyl)-6-methylquinoline?
The canonical SMILES for 2-(iodomethyl)-6-methylquinoline is Cc1ccc2nc(CI)ccc2c1.
What is the InChIKey of 2-(iodomethyl)-6-methylquinoline?
The InChIKey is NOMGSQGOLMOCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-8-2-5-11-9(6-8)3-4-10(7-12)13-11/h2-6H,7H2,1H3.
What are the key properties of 2-(iodomethyl)-6-methylquinoline?
2-(iodomethyl)-6-methylquinoline has a molecular weight of 283.11 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-6-methylquinoline is sourced from PubChem (CID 138975713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).