ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine

C14H19N2+ — CID 155692728

IUPACethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
SMILESCC.Cc1cc(-c2cccc[n+]2C)ccn1
InChIInChI=1S/C12H13N2.C2H6/c1-10-9-11(6-7-13-10)12-5-3-4-8-14(12)2;1-2/h3-9H,1-2H3;1-2H3/q+1;
InChIKeyMYTNGPXIJZRFSH-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.91
Rot. Bonds1

About ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine

ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine (PubChem CID 155692728) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
PubChem CID155692728
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Nameethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
SMILESCC.Cc1cc(-c2cccc[n+]2C)ccn1
InChIInChI=1S/C12H13N2.C2H6/c1-10-9-11(6-7-13-10)12-5-3-4-8-14(12)2;1-2/h3-9H,1-2H3;1-2H3/q+1;
InChIKeyMYTNGPXIJZRFSH-UHFFFAOYSA-N
XLogP2.91
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
5-(2-methyl-4-pyridinyl)-2-phenoxypyrimidine
CID 162507638
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-methyl-4-pyridin-3-ylpyridine;propane
CID 144569163
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine?
The IUPAC name of ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine (CID 155692728) is ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine.
What is the SMILES notation for ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine?
The canonical SMILES for ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine is CC.Cc1cc(-c2cccc[n+]2C)ccn1.
What is the InChIKey of ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine?
The InChIKey is MYTNGPXIJZRFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.C2H6/c1-10-9-11(6-7-13-10)12-5-3-4-8-14(12)2;1-2/h3-9H,1-2H3;1-2H3/q+1;.
What are the key properties of ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine?
ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine has a molecular weight of 215.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine is sourced from PubChem (CID 155692728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).