2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile

C172H276Cl4N21O11S4+ — CID 161284046

About 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile

2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile (PubChem CID 161284046) has the molecular formula C172H276Cl4N21O11S4+ and a molecular weight of 3084.32 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile
• PubChem CID: 161284046
• Molecular Formula: C172H276Cl4N21O11S4+
• Molecular Weight: 3084.32 g/mol
• Exact Mass: 3079.93
• IUPAC Name: 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile
• SMILES: C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1cc(C)ccn1.CSc1cc(C)ccn1.CSc1ccc(C)cn1.Cc1cc[n+]([O-])c(Cl)c1.Cc1cc[n+]([O-])cc1.Cc1ccc(C)[n+]([O-])c1.Cc1ccc(C)nc1.Cc1ccc(Cl)nc1.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccc[n+](O)c1C.Cc1ccc[n+]([O-])c1.Cc1ccc[n+]([O-])c1C.Cc1cccnc1.Cc1cccnc1C.Cc1ccnc(C#N)c1.Cc1ccnc(C)c1.Cc1ccnc(Cl)c1.Cc1ccnc(Cl)c1.Cc1ccnc(S(C)(=O)=O)c1.Cc1ccncc1
• InChI: InChI=1S/C7H6N2.2C7H9NO2S.2C7H9NO.C7H10NO.C7H9NO.2C7H9NS.3C7H9N.C6H6ClNO.3C6H6ClN.2C6H7NO.2C6H7N.19C2H6.C2H4/c1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-7(5-6)11(2,9)10;1-6-3-4-7(8-5-6)11(2,9)10;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(2)8(9)5-6;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(9-2)8-5-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-8(9)6(7)4-5;2*1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;20*1-2/h2-4H,1H3;2*3-5H,1-2H3;2*3-5H,1-2H3;3-5,9H,1-2H3;3*3-5H,1-2H3;3*3-5H,1-2H3;2-4H,1H3;3*2-4H,1H3;2*2-5H,1H3;2*2-5H,1H3;19*1-2H3;1-2H2/q;;;;;+1
• InChIKey: HJQFRGKWXJFXRZ-UHFFFAOYSA-N
• XLogP: 48.02
• TPSA: 440.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 5
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3084.32
LogP ≤ 5	48.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile?

The IUPAC name of 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile (CID 161284046) is 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile.

What is the SMILES notation for 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile?

The canonical SMILES for 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile is C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1cc(C)ccn1.CSc1cc(C)ccn1.CSc1ccc(C)cn1.Cc1cc[n+]([O-])c(Cl)c1.Cc1cc[n+]([O-])cc1.Cc1ccc(C)[n+]([O-])c1.Cc1ccc(C)nc1.Cc1ccc(Cl)nc1.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccc[n+](O)c1C.Cc1ccc[n+]([O-])c1.Cc1ccc[n+]([O-])c1C.Cc1cccnc1.Cc1cccnc1C.Cc1ccnc(C#N)c1.Cc1ccnc(C)c1.Cc1ccnc(Cl)c1.Cc1ccnc(Cl)c1.Cc1ccnc(S(C)(=O)=O)c1.Cc1ccncc1.

What is the InChIKey of 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile?

The InChIKey is HJQFRGKWXJFXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.2C7H9NO2S.2C7H9NO.C7H10NO.C7H9NO.2C7H9NS.3C7H9N.C6H6ClNO.3C6H6ClN.2C6H7NO.2C6H7N.19C2H6.C2H4/c1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-7(5-6)11(2,9)10;1-6-3-4-7(8-5-6)11(2,9)10;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(2)8(9)5-6;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(9-2)8-5-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-8(9)6(7)4-5;2*1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;20*1-2/h2-4H,1H3;2*3-5H,1-2H3;2*3-5H,1-2H3;3-5,9H,1-2H3;3*3-5H,1-2H3;3*3-5H,1-2H3;2-4H,1H3;3*2-4H,1H3;2*2-5H,1H3;2*2-5H,1H3;19*1-2H3;1-2H2/q;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile?

2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile has a molecular weight of 3084.32 g/mol, XLogP of 48.02, 5 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-1-oxidopyridin-1-ium;bis(2-chloro-4-methylpyridine);2-chloro-5-methylpyridine;2,3-dimethyl-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;ethane;ethene;1-hydroxy-2,3-dimethylpyridin-1-ium;2-methoxy-4-methylpyridine;4-methyl-2-methylsulfanylpyridine;5-methyl-2-methylsulfanylpyridine;4-methyl-2-methylsulfonylpyridine;5-methyl-2-methylsulfonylpyridine;3-methyl-1-oxidopyridin-1-ium;4-methyl-1-oxidopyridin-1-ium;3-methylpyridine;4-methylpyridine;4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 161284046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).