3H-pyridin-3-ylium-6-ylideneazanide

C5H4N2 — CID 102589582

IUPAC3H-pyridin-3-ylium-6-ylideneazanide
SMILES[N-]=C1C=C[CH+]C=N1
InChIInChI=1S/C5H4N2/c6-5-3-1-2-4-7-5/h1-4H
InChIKeyJGQBNAFULRKENS-UHFFFAOYSA-N
MW92.10 g/mol
LogP0.80
Rot. Bonds

About 3H-pyridin-3-ylium-6-ylideneazanide

3H-pyridin-3-ylium-6-ylideneazanide (PubChem CID 102589582) has the molecular formula C5H4N2 and a molecular weight of 92.10 g/mol. Its IUPAC name is 3H-pyridin-3-ylium-6-ylideneazanide.

Molecular Properties

Compound Name3H-pyridin-3-ylium-6-ylideneazanide
PubChem CID102589582
Molecular FormulaC5H4N2
Molecular Weight92.10 g/mol
Exact Mass92.04
IUPAC Name3H-pyridin-3-ylium-6-ylideneazanide
SMILES[N-]=C1C=C[CH+]C=N1
InChIInChI=1S/C5H4N2/c6-5-3-1-2-4-7-5/h1-4H
InChIKeyJGQBNAFULRKENS-UHFFFAOYSA-N
XLogP0.80
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydropyridine
CID 15738596
Bis(imino)pyridine
CID 21972427
Imidazole-4-spiro-2'-pyrrole
CID 129749442
3-fluoro-N-methyl-3H-pyridin-6-imine
CID 146674664
3-fluoro-3H-pyridin-6-imine
CID 146674689
(E)-(3-fluoro-3H-pyridin-6-ylidene)hydrazine
CID 156592463
2-Deuterio-2,5-dihydropyridine
CID 11819041
2H-Imidazo[4,5-B]pyridine
CID 20072810
5H-imidazo[4,5-b]pyridine
CID 20072833
3H-pyridin-2-imine
CID 51030079
3H-pyridin-1-ium
CID 54194008
Pyridine-2,5-diimine
CID 54293695

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-3-ylium-6-ylideneazanide?
The IUPAC name of 3H-pyridin-3-ylium-6-ylideneazanide (CID 102589582) is 3H-pyridin-3-ylium-6-ylideneazanide.
What is the SMILES notation for 3H-pyridin-3-ylium-6-ylideneazanide?
The canonical SMILES for 3H-pyridin-3-ylium-6-ylideneazanide is [N-]=C1C=C[CH+]C=N1.
What is the InChIKey of 3H-pyridin-3-ylium-6-ylideneazanide?
The InChIKey is JGQBNAFULRKENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2/c6-5-3-1-2-4-7-5/h1-4H.
What are the key properties of 3H-pyridin-3-ylium-6-ylideneazanide?
3H-pyridin-3-ylium-6-ylideneazanide has a molecular weight of 92.10 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-3-ylium-6-ylideneazanide is sourced from PubChem (CID 102589582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).