iodomethane;2-methyl-4-phenylpyridine

C13H14IN — CID 143719183

IUPACiodomethane;2-methyl-4-phenylpyridine
SMILESCI.Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C12H11N.CH3I/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1H3
InChIKeyOMMZXOSWPKXCGY-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.11
Rot. Bonds1

About iodomethane;2-methyl-4-phenylpyridine

iodomethane;2-methyl-4-phenylpyridine (PubChem CID 143719183) has the molecular formula C13H14IN and a molecular weight of 311.17 g/mol. Its IUPAC name is iodomethane;2-methyl-4-phenylpyridine.

Molecular Properties

Compound Nameiodomethane;2-methyl-4-phenylpyridine
PubChem CID143719183
Molecular FormulaC13H14IN
Molecular Weight311.17 g/mol
Exact Mass311.02
IUPAC Nameiodomethane;2-methyl-4-phenylpyridine
SMILESCI.Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C12H11N.CH3I/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1H3
InChIKeyOMMZXOSWPKXCGY-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.11
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 iodomethane;2-methyl-4-phenylpyridine?
The IUPAC name of iodomethane;2-methyl-4-phenylpyridine (CID 143719183) is iodomethane;2-methyl-4-phenylpyridine.
What is the SMILES notation for iodomethane;2-methyl-4-phenylpyridine?
The canonical SMILES for iodomethane;2-methyl-4-phenylpyridine is CI.Cc1cc(-c2ccccc2)ccn1.
What is the InChIKey of iodomethane;2-methyl-4-phenylpyridine?
The InChIKey is OMMZXOSWPKXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.CH3I/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1H3.
What are the key properties of iodomethane;2-methyl-4-phenylpyridine?
iodomethane;2-methyl-4-phenylpyridine has a molecular weight of 311.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;2-methyl-4-phenylpyridine is sourced from PubChem (CID 143719183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).