Pyridinium

HCID 4989215CAS 16969-45-2

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Basic information

Standard SMILES: c1cc[nH+]cc1
InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-O
Molecular formula: C5H6N+
Average molar mass: 80.11 g/mol
Monoisotopic mass: 80.0500242

Names & identifiers

Preferred name: Pyridinium
IUPAC: pyridin-1-ium

Names & synonyms

Pyridinium16969-45-2DTXSID20407294RefChem:1097314DTXCID70358146pyridin-1-iumPyridinium ionPyridine ionPyridinium cationPyridine, conjugate acidPyridinium(1+)Monoprotonated pyridine

Show more names

RNZ2DM8Q8KPyridine conjugate monoacidPyridine, conjugate acid (1:1)UNII-RNZ2DM8Q8KAzoniabenzeneSCHEMBL34257SCHEMBL448174SCHEMBL448656

Database identifiers

CAS: 16969-45-2
PubChem CID: 4989215
DTXSID: DTXSID20407294
UNII: RNZ2DM8Q8K
Nikkaji: J231.691I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 14.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 1
Complexity: 30

Related reactions

1,189 records

New reaction record

HRID 5627As reactantuspto-grants-1993_09

HRID 23601As reactantuspto-grants-2005_02

HRID 43308As reactantuspto-grants-2013_09

HRID 43309As reactantuspto-grants-2013_09

HRID 85853As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87405As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87954As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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