1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium

C13H15N2+ — CID 123509161

IUPAC1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
SMILESCc1ccc(-c2cnccc2C)[n+](C)c1
InChIInChI=1S/C13H15N2/c1-10-4-5-13(15(3)9-10)12-8-14-7-6-11(12)2/h4-9H,1-3H3/q+1
InChIKeyXRLPESGWGANPSH-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.19
Rot. Bonds1

About 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium

1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium (PubChem CID 123509161) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
PubChem CID123509161
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
SMILESCc1ccc(-c2cnccc2C)[n+](C)c1
InChIInChI=1S/C13H15N2/c1-10-4-5-13(15(3)9-10)12-8-14-7-6-11(12)2/h4-9H,1-3H3/q+1
InChIKeyXRLPESGWGANPSH-UHFFFAOYSA-N
XLogP2.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.19
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

1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
CID 123227132
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
CID 159117597
3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
CID 123408164
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
CID 167365603
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282
2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
CID 159117294
4-(1,5-dimethylpyridin-1-ium-2-yl)-3-methylbenzonitrile
CID 177271047

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium (CID 123509161) is 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium is Cc1ccc(-c2cnccc2C)[n+](C)c1.
What is the InChIKey of 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium?
The InChIKey is XRLPESGWGANPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-10-4-5-13(15(3)9-10)12-8-14-7-6-11(12)2/h4-9H,1-3H3/q+1.
What are the key properties of 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium?
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium has a molecular weight of 199.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium is sourced from PubChem (CID 123509161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).