5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium

C12H11N2+ — CID 101241845

IUPAC5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium
SMILESC=C1C=CC(C2=CC=CC(=C)N2)=[N+]=C1
InChIInChI=1S/C12H11N2/c1-9-6-7-11(13-8-9)12-5-3-4-10(2)14-12/h3-8,14H,1-2H2/q+1
InChIKeyOTKSODGWDOIXBP-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.25
Rot. Bonds1

About 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium

5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium (PubChem CID 101241845) has the molecular formula C12H11N2+ and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium
PubChem CID101241845
Molecular FormulaC12H11N2+
Molecular Weight183.23 g/mol
Exact Mass183.09
IUPAC Name5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium
SMILESC=C1C=CC(C2=CC=CC(=C)N2)=[N+]=C1
InChIInChI=1S/C12H11N2/c1-9-6-7-11(13-8-9)12-5-3-4-10(2)14-12/h3-8,14H,1-2H2/q+1
InChIKeyOTKSODGWDOIXBP-UHFFFAOYSA-N
XLogP1.25
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium?
The IUPAC name of 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium (CID 101241845) is 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium.
What is the SMILES notation for 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium?
The canonical SMILES for 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium is C=C1C=CC(C2=CC=CC(=C)N2)=[N+]=C1.
What is the InChIKey of 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium?
The InChIKey is OTKSODGWDOIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2/c1-9-6-7-11(13-8-9)12-5-3-4-10(2)14-12/h3-8,14H,1-2H2/q+1.
What are the key properties of 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium?
5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium has a molecular weight of 183.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-(6-methylidene-1H-pyridin-2-yl)pyridin-1-ium is sourced from PubChem (CID 101241845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).