3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine

C14H17N2+ — CID 123408164

IUPAC3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
SMILESCc1ccc(-c2c(C)ccnc2C)[n+](C)c1
InChIInChI=1S/C14H17N2/c1-10-5-6-13(16(4)9-10)14-11(2)7-8-15-12(14)3/h5-9H,1-4H3/q+1
InChIKeyNUIRXRQJGHGMJP-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.50
Rot. Bonds1

About 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine

3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine (PubChem CID 123408164) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
PubChem CID123408164
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
SMILESCc1ccc(-c2c(C)ccnc2C)[n+](C)c1
InChIInChI=1S/C14H17N2/c1-10-5-6-13(16(4)9-10)14-11(2)7-8-15-12(14)3/h5-9H,1-4H3/q+1
InChIKeyNUIRXRQJGHGMJP-UHFFFAOYSA-N
XLogP2.50
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.50
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

2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine
CID 159407466
2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium
CID 158962711
2-[3-(2,4-dimethylphenyl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944352
2,4-dimethyl-3-pyridin-4-ylpyridine
CID 90999658
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
CID 159213376
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
3-methyl-4-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 140791369
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
2-(6-isocyano-3-methyldibenzoselenophen-4-yl)-1,5-dimethylpyridin-1-ium
CID 154615165
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine?
The IUPAC name of 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine (CID 123408164) is 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine.
What is the SMILES notation for 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine?
The canonical SMILES for 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine is Cc1ccc(-c2c(C)ccnc2C)[n+](C)c1.
What is the InChIKey of 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine?
The InChIKey is NUIRXRQJGHGMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2/c1-10-5-6-13(16(4)9-10)14-11(2)7-8-15-12(14)3/h5-9H,1-4H3/q+1.
What are the key properties of 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine?
3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine has a molecular weight of 213.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine is sourced from PubChem (CID 123408164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).