2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine

C15H14N3+ — CID 58130249

IUPAC2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine
SMILESC[n+]1ccn(-c2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H14N3/c1-17-10-11-18(12-17)15-9-5-8-14(16-15)13-6-3-2-4-7-13/h2-12H,1H3/q+1
InChIKeyDZHYMNBWRMNQLJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine

2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine (PubChem CID 58130249) has the molecular formula C15H14N3+ and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine
PubChem CID58130249
Molecular FormulaC15H14N3+
Molecular Weight236.30 g/mol
Exact Mass236.12
IUPAC Name2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine
SMILESC[n+]1ccn(-c2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H14N3/c1-17-10-11-18(12-17)15-9-5-8-14(16-15)13-6-3-2-4-7-13/h2-12H,1H3/q+1
InChIKeyDZHYMNBWRMNQLJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine?
The IUPAC name of 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine (CID 58130249) is 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine?
The canonical SMILES for 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine is C[n+]1ccn(-c2cccc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine?
The InChIKey is DZHYMNBWRMNQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3/c1-17-10-11-18(12-17)15-9-5-8-14(16-15)13-6-3-2-4-7-13/h2-12H,1H3/q+1.
What are the key properties of 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine?
2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine has a molecular weight of 236.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine is sourced from PubChem (CID 58130249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).