1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine

Name: 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₂N₂ — CID 20663925

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine

SMILESC=[n+]1ccccc1=C1C=CC=CN1[CH2-]

InChIInChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2

InChIKeyBFHXSUNERZPPTF-UHFFFAOYSA-N

MW184.24 g/mol

LogP0.90

Rot. Bonds

About 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine

1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine (PubChem CID 20663925) has the molecular formula C₁₂H₁₂N₂ and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine.

Molecular Properties

Compound Name	1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
PubChem CID	20663925
Molecular Formula	C₁₂H₁₂N₂
Molecular Weight	184.24 g/mol
Exact Mass	184.10
IUPAC Name	1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
SMILES	C=[n+]1ccccc1=C1C=CC=CN1[CH2-]
InChI	InChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2
InChIKey	BFHXSUNERZPPTF-UHFFFAOYSA-N
XLogP	0.90
TPSA	9.14 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.24
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?

The IUPAC name of 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine (CID 20663925) is 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine.

What is the SMILES notation for 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?

The canonical SMILES for 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine is C=[n+]1ccccc1=C1C=CC=CN1[CH2-].

What is the InChIKey of 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?

The InChIKey is BFHXSUNERZPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2.

What are the key properties of 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?

1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine has a molecular weight of 184.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine is sourced from PubChem (CID 20663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 20663925 — identifiers, structure, computed properties (public domain)

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