2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane

C14H19N2+ — CID 159306012

IUPAC2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane
SMILESCC.Cc1cc(-[n+]2ccccc2)cc(C)n1
InChIInChI=1S/C12H13N2.C2H6/c1-10-8-12(9-11(2)13-10)14-6-4-3-5-7-14;1-2/h3-9H,1-2H3;1-2H3/q+1;
InChIKeyTYKNALNLLJPWRW-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.00
Rot. Bonds1

About 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane

2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane (PubChem CID 159306012) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane.

Molecular Properties

Compound Name2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane
PubChem CID159306012
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Name2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane
SMILESCC.Cc1cc(-[n+]2ccccc2)cc(C)n1
InChIInChI=1S/C12H13N2.C2H6/c1-10-8-12(9-11(2)13-10)14-6-4-3-5-7-14;1-2/h3-9H,1-2H3;1-2H3/q+1;
InChIKeyTYKNALNLLJPWRW-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

ethane;pyridine;2,4,6-trimethylpyridine
CID 162731023
1-(4-methoxyphenyl)pyridin-1-ium;dihydrochloride
CID 175485719
2,6-dimethylpyridine;ethane
CID 54453947
sulfane;2,4,6-trimethylpyridine
CID 69294176
2,10-dimethylazecine
CID 126659012
2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
CID 101475098
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 82417415
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
1-(3-propylphenyl)pyridin-1-ium
CID 54173380

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane?
The IUPAC name of 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane (CID 159306012) is 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane.
What is the SMILES notation for 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane?
The canonical SMILES for 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane is CC.Cc1cc(-[n+]2ccccc2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane?
The InChIKey is TYKNALNLLJPWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.C2H6/c1-10-8-12(9-11(2)13-10)14-6-4-3-5-7-14;1-2/h3-9H,1-2H3;1-2H3/q+1;.
What are the key properties of 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane?
2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane has a molecular weight of 215.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-pyridin-1-ium-1-ylpyridine;ethane is sourced from PubChem (CID 159306012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).