1-methyl-4-phenylpyridin-1-ium iodide

C12H12IN — CID 10924457

IUPAC1-methyl-4-phenylpyridin-1-ium iodide
SMILESC[n+]1ccc(-c2ccccc2)cc1.[I-]
InChIInChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKeyRFDFRDXIIKROAI-UHFFFAOYSA-M
MW297.14 g/mol
LogP-0.82
Rot. Bonds1

About 1-methyl-4-phenylpyridin-1-ium iodide

1-methyl-4-phenylpyridin-1-ium iodide (PubChem CID 10924457) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-methyl-4-phenylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-4-phenylpyridin-1-ium iodide
PubChem CID10924457
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name1-methyl-4-phenylpyridin-1-ium iodide
SMILESC[n+]1ccc(-c2ccccc2)cc1.[I-]
InChIInChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKeyRFDFRDXIIKROAI-UHFFFAOYSA-M
XLogP-0.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylpyridin-1-ium iodide?
The IUPAC name of 1-methyl-4-phenylpyridin-1-ium iodide (CID 10924457) is 1-methyl-4-phenylpyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-4-phenylpyridin-1-ium iodide?
The canonical SMILES for 1-methyl-4-phenylpyridin-1-ium iodide is C[n+]1ccc(-c2ccccc2)cc1.[I-].
What is the InChIKey of 1-methyl-4-phenylpyridin-1-ium iodide?
The InChIKey is RFDFRDXIIKROAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-4-phenylpyridin-1-ium iodide?
1-methyl-4-phenylpyridin-1-ium iodide has a molecular weight of 297.14 g/mol, XLogP of -0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylpyridin-1-ium iodide is sourced from PubChem (CID 10924457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).