2,5-dihydropyridin-5-ylium

C5H6N+ — CID 54553964

IUPAC2,5-dihydropyridin-5-ylium
SMILESC1=CCN=C[CH+]1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/q+1
InChIKeyRFFMCCPYORWJPW-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.83
Rot. Bonds

About 2,5-dihydropyridin-5-ylium

2,5-dihydropyridin-5-ylium (PubChem CID 54553964) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is 2,5-dihydropyridin-5-ylium.

Molecular Properties

Compound Name2,5-dihydropyridin-5-ylium
PubChem CID54553964
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name2,5-dihydropyridin-5-ylium
SMILESC1=CCN=C[CH+]1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/q+1
InChIKeyRFFMCCPYORWJPW-UHFFFAOYSA-N
XLogP0.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydropyridine
CID 15738596
2,3-Dihydropyridine
CID 13347754
2,7-Dihydroazocine
CID 53774889
2-Fluoro-2,3-dihydropyridine
CID 54085820
5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
3-Fluoro-2,3-dihydropyridine
CID 68024004
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
5-Fluoro-2,5-dihydropyridine
CID 173305258
3-Fluoro-2,5-dihydropyridine
CID 178037828
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
Bis(germylene)pyridine
CID 177861038

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridin-5-ylium?
The IUPAC name of 2,5-dihydropyridin-5-ylium (CID 54553964) is 2,5-dihydropyridin-5-ylium.
What is the SMILES notation for 2,5-dihydropyridin-5-ylium?
The canonical SMILES for 2,5-dihydropyridin-5-ylium is C1=CCN=C[CH+]1.
What is the InChIKey of 2,5-dihydropyridin-5-ylium?
The InChIKey is RFFMCCPYORWJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/q+1.
What are the key properties of 2,5-dihydropyridin-5-ylium?
2,5-dihydropyridin-5-ylium has a molecular weight of 80.11 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridin-5-ylium is sourced from PubChem (CID 54553964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).