1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

C12H14N2+2 — CID 15939

IUPAC1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1
InChIInChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChIKeyINFDPOAKFNIJBF-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.00
Rot. Bonds1

About 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 15939) has the molecular formula C12H14N2+2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
PubChem CID15939
Molecular FormulaC12H14N2+2
Molecular Weight186.26 g/mol
Exact Mass186.11
IUPAC Name1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1
InChIInChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChIKeyINFDPOAKFNIJBF-UHFFFAOYSA-N
XLogP1.00
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium (CID 15939) is 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium is C[n+]1ccc(-c2cc[n+](C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium?
The InChIKey is INFDPOAKFNIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2.
What are the key properties of 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium?
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 186.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 15939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).