2-(iodomethyl)quinoline

C10H8IN — CID 19432604

IUPAC2-(iodomethyl)quinoline
SMILESICc1ccc2ccccc2n1
InChIInChI=1S/C10H8IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyIAWDIURGJOQRIE-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.17
Rot. Bonds1

About 2-(iodomethyl)quinoline

2-(iodomethyl)quinoline (PubChem CID 19432604) has the molecular formula C10H8IN and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-(iodomethyl)quinoline.

Molecular Properties

Compound Name2-(iodomethyl)quinoline
PubChem CID19432604
Molecular FormulaC10H8IN
Molecular Weight269.09 g/mol
Exact Mass268.97
IUPAC Name2-(iodomethyl)quinoline
SMILESICc1ccc2ccccc2n1
InChIInChI=1S/C10H8IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyIAWDIURGJOQRIE-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.17
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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Related Compounds

quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
CID 89210421
CID 89210421
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
6-bromo-2-(iodomethyl)quinoline
CID 89441334
2-(iodomethyl)-6-methylquinoline
CID 138975713
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
2-(methylsulfonylmethyl)quinoline
CID 14901365
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
2-(2-methoxyethyl)quinoline
CID 129321824
quinolin-2-ylmethanesulfonamide
CID 43164320

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)quinoline?
The IUPAC name of 2-(iodomethyl)quinoline (CID 19432604) is 2-(iodomethyl)quinoline.
What is the SMILES notation for 2-(iodomethyl)quinoline?
The canonical SMILES for 2-(iodomethyl)quinoline is ICc1ccc2ccccc2n1.
What is the InChIKey of 2-(iodomethyl)quinoline?
The InChIKey is IAWDIURGJOQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2.
What are the key properties of 2-(iodomethyl)quinoline?
2-(iodomethyl)quinoline has a molecular weight of 269.09 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)quinoline is sourced from PubChem (CID 19432604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).