1-ethylpyridin-1-ium iodide

C7H10IN — CID 12038941

IUPAC1-ethylpyridin-1-ium iodide
SMILESCC[n+]1ccccc1.[I-]
InChIInChI=1S/C7H10N.HI/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChIKeyFSRVQSSHFLOXGR-UHFFFAOYSA-M
MW235.07 g/mol
LogP-2.00
Rot. Bonds1

About 1-ethylpyridin-1-ium iodide

1-ethylpyridin-1-ium iodide (PubChem CID 12038941) has the molecular formula C7H10IN and a molecular weight of 235.07 g/mol. Its IUPAC name is 1-ethylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-ethylpyridin-1-ium iodide
PubChem CID12038941
Molecular FormulaC7H10IN
Molecular Weight235.07 g/mol
Exact Mass234.99
IUPAC Name1-ethylpyridin-1-ium iodide
SMILESCC[n+]1ccccc1.[I-]
InChIInChI=1S/C7H10N.HI/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChIKeyFSRVQSSHFLOXGR-UHFFFAOYSA-M
XLogP-2.00
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 5-2.00
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-ethylpyridin-1-ium iodide?
The IUPAC name of 1-ethylpyridin-1-ium iodide (CID 12038941) is 1-ethylpyridin-1-ium iodide.
What is the SMILES notation for 1-ethylpyridin-1-ium iodide?
The canonical SMILES for 1-ethylpyridin-1-ium iodide is CC[n+]1ccccc1.[I-].
What is the InChIKey of 1-ethylpyridin-1-ium iodide?
The InChIKey is FSRVQSSHFLOXGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N.HI/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-ethylpyridin-1-ium iodide?
1-ethylpyridin-1-ium iodide has a molecular weight of 235.07 g/mol, XLogP of -2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridin-1-ium iodide is sourced from PubChem (CID 12038941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).