4,5-dihydro-2H-pyridin-4-ylium

C5H6N+ — CID 91143760

IUPAC4,5-dihydro-2H-pyridin-4-ylium
SMILES[C+]1=CCN=CC1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,3-4H2/q+1
InChIKeyKMZWBIGKGPSPTO-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.82
Rot. Bonds

About 4,5-dihydro-2H-pyridin-4-ylium

4,5-dihydro-2H-pyridin-4-ylium (PubChem CID 91143760) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is 4,5-dihydro-2H-pyridin-4-ylium.

Molecular Properties

Compound Name4,5-dihydro-2H-pyridin-4-ylium
PubChem CID91143760
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name4,5-dihydro-2H-pyridin-4-ylium
SMILES[C+]1=CCN=CC1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,3-4H2/q+1
InChIKeyKMZWBIGKGPSPTO-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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
5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
(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
2-Deuterio-2,5-dihydropyridine
CID 11819041
3H-pyridine-6-thione
CID 20593761
3-Chloro-2,5-dihydropyridine
CID 53707752
3H-pyridin-1-ium
CID 54194008

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-pyridin-4-ylium?
The IUPAC name of 4,5-dihydro-2H-pyridin-4-ylium (CID 91143760) is 4,5-dihydro-2H-pyridin-4-ylium.
What is the SMILES notation for 4,5-dihydro-2H-pyridin-4-ylium?
The canonical SMILES for 4,5-dihydro-2H-pyridin-4-ylium is [C+]1=CCN=CC1.
What is the InChIKey of 4,5-dihydro-2H-pyridin-4-ylium?
The InChIKey is KMZWBIGKGPSPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,3-4H2/q+1.
What are the key properties of 4,5-dihydro-2H-pyridin-4-ylium?
4,5-dihydro-2H-pyridin-4-ylium has a molecular weight of 80.11 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-pyridin-4-ylium is sourced from PubChem (CID 91143760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).