2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide

C123H162IN11O24S8 — CID 159081719

IUPAC2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide
SMILESCS(=O)(=O)[O-].Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)cn1.Cc1cc[n+](C)c(-c2cc(C)cc[n+]2C)c1.Cc1cc[n+](C)c(C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(C)[n+]1C.Cc1nc(C)c(C)[n+](C)c1C.[I-]
InChIInChI=1S/C14H18N2.C9H15N2.3C9H14N.2C8H12N.C7H11N2.7C7H8O3S.CH4O3S.HI/c1-11-5-7-15(3)13(9-11)14-10-12(2)6-8-16(14)4;1-6-8(3)11(5)9(4)7(2)10-6;3*1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)8(2)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)9(3)5-8-6;7*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4;/h5-10H,1-4H3;1-5H3;3*5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;7*2-5H,1H3,(H,8,9,10);1H3,(H,2,3,4);1H/q+2;7*+1;;;;;;;;;/p-9
InChIKeyGUHMFVICMXLYJN-UHFFFAOYSA-E
MW2562.14 g/mol
LogP12.31
Rot. Bonds8

About 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide

2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide (PubChem CID 159081719) has the molecular formula C123H162IN11O24S8 and a molecular weight of 2562.14 g/mol. Its IUPAC name is 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide.

Molecular Properties

Compound Name2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide
PubChem CID159081719
Molecular FormulaC123H162IN11O24S8
Molecular Weight2562.14 g/mol
Exact Mass2559.86
IUPAC Name2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide
SMILESCS(=O)(=O)[O-].Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)cn1.Cc1cc[n+](C)c(-c2cc(C)cc[n+]2C)c1.Cc1cc[n+](C)c(C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(C)[n+]1C.Cc1nc(C)c(C)[n+](C)c1C.[I-]
InChIInChI=1S/C14H18N2.C9H15N2.3C9H14N.2C8H12N.C7H11N2.7C7H8O3S.CH4O3S.HI/c1-11-5-7-15(3)13(9-11)14-10-12(2)6-8-16(14)4;1-6-8(3)11(5)9(4)7(2)10-6;3*1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)8(2)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)9(3)5-8-6;7*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4;/h5-10H,1-4H3;1-5H3;3*5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;7*2-5H,1H3,(H,8,9,10);1H3,(H,2,3,4);1H/q+2;7*+1;;;;;;;;;/p-9
InChIKeyGUHMFVICMXLYJN-UHFFFAOYSA-E
XLogP12.31
TPSA518.30 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002562.14
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide with MolForge

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Related Compounds

2,4,6-Tris{2-[4-(p-sulfophenyl)]pyridyl}-s-triazine
CID 129800091
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CID 142673695
tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide
CID 157056142
Ethane;bis(propan-2-ylsulfonylmethylbenzene);2-(propan-2-ylsulfonylmethyl)pyridine;3-(propan-2-ylsulfonylmethyl)pyridine;4-(propan-2-ylsulfonylmethyl)pyridine;2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine;bis(2-(propan-2-ylsulfonylmethyl)pyrimidine)
CID 157056167
1-(4-ethylphenyl)-4-methylpiperazine;1-(4-ethylphenyl)-4-phenylpiperazine;2-[4-(4-ethylphenyl)piperazin-1-yl]pyrimidine;1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine;4-ethyl-N-phenyl-N-propan-2-ylaniline;pentakis(methylcyclohexane);pentakis(2-methylpropane-2-sulfinate)
CID 157064476
N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine
CID 157165223
Nonasodium;tris(4-[2-[5,6-bis(4-oxidoperoxysulfanylphenyl)-1,2,4-triazin-3-yl]-4-pyridinyl]benzenesulfonate);europium;chloride
CID 157204713
2-Fluoro-1-methyl-4-(2-methylsulfonylphenyl)benzene;2-(3-fluoro-4-methylphenyl)benzenesulfonamide;2-(3-fluoro-4-methylphenyl)-1-methyl-4,5-dihydroimidazole;2-methyl-5-(1-methyl-4,5-dihydroimidazol-2-yl)pyridine;2-methyl-5-(1-methyl-4,5-dihydroimidazol-2-yl)pyrimidine;1-methyl-2-(4-methylphenyl)-4,5-dihydroimidazole;2-methyl-5-(2-methylsulfonylphenyl)pyridine;2-methyl-5-(2-methylsulfonylphenyl)pyrimidine;2-(4-methylphenyl)benzenesulfonamide;1-(4-methylphenyl)-2-methylsulfonylbenzene;2-(6-methyl-3-pyridinyl)benzenesulfonamide;2-(2-methylpyrimidin-5-yl)benzenesulfonamide
CID 157294958
2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane
CID 158129573
4-Methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine
CID 158519309
6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 159005664
1,2-Dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;tetrakis(4-methylbenzenesulfonate);1-methylpyridin-1-ium;1,2,5-trimethylpyrazin-1-ium
CID 159251047

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide?
The IUPAC name of 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide (CID 159081719) is 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide.
What is the SMILES notation for 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide?
The canonical SMILES for 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide is CS(=O)(=O)[O-].Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)c(C)c1.Cc1cc(C)[n+](C)cn1.Cc1cc[n+](C)c(-c2cc(C)cc[n+]2C)c1.Cc1cc[n+](C)c(C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(C)[n+]1C.Cc1nc(C)c(C)[n+](C)c1C.[I-].
What is the InChIKey of 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide?
The InChIKey is GUHMFVICMXLYJN-UHFFFAOYSA-E. The full InChI is InChI=1S/C14H18N2.C9H15N2.3C9H14N.2C8H12N.C7H11N2.7C7H8O3S.CH4O3S.HI/c1-11-5-7-15(3)13(9-11)14-10-12(2)6-8-16(14)4;1-6-8(3)11(5)9(4)7(2)10-6;3*1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)8(2)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)9(3)5-8-6;7*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4;/h5-10H,1-4H3;1-5H3;3*5-6H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;7*2-5H,1H3,(H,8,9,10);1H3,(H,2,3,4);1H/q+2;7*+1;;;;;;;;;/p-9.
What are the key properties of 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide?
2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide has a molecular weight of 2562.14 g/mol, XLogP of 12.31, 8 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,4-dimethylpyridin-1-ium;methanesulfonate;heptakis(4-methylbenzenesulfonate);1,2,3,5,6-pentamethylpyrazin-1-ium;tris(1,2,4,6-tetramethylpyridin-1-ium);1,2,4-trimethylpyridin-1-ium;1,2,6-trimethylpyridin-1-ium;1,4,6-trimethylpyrimidin-1-ium;iodide is sourced from PubChem (CID 159081719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).