1-methylpyridin-1-ium;oxozinc;iodide

C6H8INOZn — CID 174764839

IUPAC1-methylpyridin-1-ium;oxozinc;iodide
SMILESC[n+]1ccccc1.O=[Zn].[I-]
InChIInChI=1S/C6H8N.HI.O.Zn/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;1H;;/q+1;;;/p-1
InChIKeyOUBGXIKWULZLCX-UHFFFAOYSA-M
MW302.43 g/mol
LogP-2.61
Rot. Bonds

About 1-methylpyridin-1-ium;oxozinc;iodide

1-methylpyridin-1-ium;oxozinc;iodide (PubChem CID 174764839) has the molecular formula C6H8INOZn and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-methylpyridin-1-ium;oxozinc;iodide.

Molecular Properties

Compound Name1-methylpyridin-1-ium;oxozinc;iodide
PubChem CID174764839
Molecular FormulaC6H8INOZn
Molecular Weight302.43 g/mol
Exact Mass300.89
IUPAC Name1-methylpyridin-1-ium;oxozinc;iodide
SMILESC[n+]1ccccc1.O=[Zn].[I-]
InChIInChI=1S/C6H8N.HI.O.Zn/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;1H;;/q+1;;;/p-1
InChIKeyOUBGXIKWULZLCX-UHFFFAOYSA-M
XLogP-2.61
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-ethylpyridin-1-ium;1-methylpyridin-1-ium
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Frequently Asked Questions

What is the IUPAC name of 1-methylpyridin-1-ium;oxozinc;iodide?
The IUPAC name of 1-methylpyridin-1-ium;oxozinc;iodide (CID 174764839) is 1-methylpyridin-1-ium;oxozinc;iodide.
What is the SMILES notation for 1-methylpyridin-1-ium;oxozinc;iodide?
The canonical SMILES for 1-methylpyridin-1-ium;oxozinc;iodide is C[n+]1ccccc1.O=[Zn].[I-].
What is the InChIKey of 1-methylpyridin-1-ium;oxozinc;iodide?
The InChIKey is OUBGXIKWULZLCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N.HI.O.Zn/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;1H;;/q+1;;;/p-1.
What are the key properties of 1-methylpyridin-1-ium;oxozinc;iodide?
1-methylpyridin-1-ium;oxozinc;iodide has a molecular weight of 302.43 g/mol, XLogP of -2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridin-1-ium;oxozinc;iodide is sourced from PubChem (CID 174764839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).