3H-pyridin-1-ium

C5H6N+ — CID 54194008

IUPAC3H-pyridin-1-ium
SMILESC1=CCC=[N+]=C1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-2,4-5H,3H2/q+1
InChIKeyLQDRPMRAGWPRCQ-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.16
Rot. Bonds

About 3H-pyridin-1-ium

3H-pyridin-1-ium (PubChem CID 54194008) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is 3H-pyridin-1-ium.

Molecular Properties

Compound Name3H-pyridin-1-ium
PubChem CID54194008
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name3H-pyridin-1-ium
SMILESC1=CCC=[N+]=C1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-2,4-5H,3H2/q+1
InChIKeyLQDRPMRAGWPRCQ-UHFFFAOYSA-N
XLogP0.16
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydropyridine
CID 15738596
2,3-Dihydropyridine
CID 13347754
Pyridine-3(2H)-thione
CID 13507521
Pyridine-2(3H)-thione
CID 14762675
1-Oxido-2,3-dihydropyridin-1-ium
CID 18542534
3-Methanidylidenepyridin-1-ium
CID 59909632
3,3-Dimethylpyridine
CID 129722078
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
3,3-difluoro-2H-pyridine
CID 90015074

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-1-ium?
The IUPAC name of 3H-pyridin-1-ium (CID 54194008) is 3H-pyridin-1-ium.
What is the SMILES notation for 3H-pyridin-1-ium?
The canonical SMILES for 3H-pyridin-1-ium is C1=CCC=[N+]=C1.
What is the InChIKey of 3H-pyridin-1-ium?
The InChIKey is LQDRPMRAGWPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-2,4-5H,3H2/q+1.
What are the key properties of 3H-pyridin-1-ium?
3H-pyridin-1-ium has a molecular weight of 80.11 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-1-ium is sourced from PubChem (CID 54194008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).