3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole

C129H137Cl4F10N25O18S9 — CID 159943984

About 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole

3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole (PubChem CID 159943984) has the molecular formula C129H137Cl4F10N25O18S9 and a molecular weight of 2946.07 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole
• PubChem CID: 159943984
• Molecular Formula: C129H137Cl4F10N25O18S9
• Molecular Weight: 2946.07 g/mol
• Exact Mass: 2941.67
• IUPAC Name: 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole
• SMILES: Cc1c(F)cc(S(C)(=O)=O)cc1F.Cc1c(F)cncc1Cl.Cc1ccc(-n2cncn2)cc1.Cc1ccc(-n2cncn2)cc1Cl.Cc1ccc(-n2cncn2)cc1F.Cc1ccc(-n2cnnn2)cc1.Cc1ccc(-n2cnnn2)cc1Cl.Cc1ccc(-n2cnnn2)cc1F.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F.Cc1ccc(S(C)(=O)=O)cc1Cl.Cc1ccc(S(C)(=O)=O)cc1F.Cc1ccc(S(C)(=O)=O)nc1.Cc1cnc(S(C)(=O)=O)cc1C.Cc1cnc(S(C)(=O)=O)cc1F
• InChI: InChI=1S/C9H8ClN3.C9H9F3O2S.C9H8FN3.C9H9N3.C9H12O2S.C8H7ClN4.C8H9ClO2S.C8H8F2O2S.C8H7FN4.C8H9FO2S.C8H8N4.C8H11NO2S.C8H10O2S.C7H8FNO2S.C7H9NO2S.C6H5ClFN/c1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-6-3-4-7(15(2,13)14)5-8(6)9(10,11)12;1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-8-2-4-9(5-3-8)12-7-10-6-11-12;1-7-4-5-9(6-8(7)2)12(3,10)11;1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-6-3-4-7(5-8(6)9)12(2,10)11;1-5-7(9)3-6(4-8(5)10)13(2,11)12;1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-6-3-4-7(5-8(6)9)12(2,10)11;1-7-2-4-8(5-3-7)12-6-9-10-11-12;1-6-4-8(12(3,10)11)9-5-7(6)2;1-7-3-5-8(6-4-7)11(2,9)10;1-5-4-9-7(3-6(5)8)12(2,10)11;1-6-3-4-7(8-5-6)11(2,9)10;1-4-5(7)2-9-3-6(4)8/h2-6H,1H3;3-5H,1-2H3;2-6H,1H3;2-7H,1H3;4-6H,1-3H3;2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3;4-5H,1-3H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2-3H,1H3
• InChIKey: OBGDQPCLDWUQIB-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 581.75 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 15
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.07
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole?

The IUPAC name of 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole (CID 159943984) is 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole.

What is the SMILES notation for 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole?

The canonical SMILES for 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole is Cc1c(F)cc(S(C)(=O)=O)cc1F.Cc1c(F)cncc1Cl.Cc1ccc(-n2cncn2)cc1.Cc1ccc(-n2cncn2)cc1Cl.Cc1ccc(-n2cncn2)cc1F.Cc1ccc(-n2cnnn2)cc1.Cc1ccc(-n2cnnn2)cc1Cl.Cc1ccc(-n2cnnn2)cc1F.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F.Cc1ccc(S(C)(=O)=O)cc1Cl.Cc1ccc(S(C)(=O)=O)cc1F.Cc1ccc(S(C)(=O)=O)nc1.Cc1cnc(S(C)(=O)=O)cc1C.Cc1cnc(S(C)(=O)=O)cc1F.

What is the InChIKey of 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole?

The InChIKey is OBGDQPCLDWUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.C9H9F3O2S.C9H8FN3.C9H9N3.C9H12O2S.C8H7ClN4.C8H9ClO2S.C8H8F2O2S.C8H7FN4.C8H9FO2S.C8H8N4.C8H11NO2S.C8H10O2S.C7H8FNO2S.C7H9NO2S.C6H5ClFN/c1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-6-3-4-7(15(2,13)14)5-8(6)9(10,11)12;1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-8-2-4-9(5-3-8)12-7-10-6-11-12;1-7-4-5-9(6-8(7)2)12(3,10)11;1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-6-3-4-7(5-8(6)9)12(2,10)11;1-5-7(9)3-6(4-8(5)10)13(2,11)12;1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-6-3-4-7(5-8(6)9)12(2,10)11;1-7-2-4-8(5-3-7)12-6-9-10-11-12;1-6-4-8(12(3,10)11)9-5-7(6)2;1-7-3-5-8(6-4-7)11(2,9)10;1-5-4-9-7(3-6(5)8)12(2,10)11;1-6-3-4-7(8-5-6)11(2,9)10;1-4-5(7)2-9-3-6(4)8/h2-6H,1H3;3-5H,1-2H3;2-6H,1H3;2-7H,1H3;4-6H,1-3H3;2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3;4-5H,1-3H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2-3H,1H3.

What are the key properties of 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole?

3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole has a molecular weight of 2946.07 g/mol, XLogP of 25.02, 15 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-fluoro-4-methylpyridine;2-chloro-1-methyl-4-methylsulfonylbenzene;1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;1,3-difluoro-2-methyl-5-methylsulfonylbenzene;1,2-dimethyl-4-methylsulfonylbenzene;4,5-dimethyl-2-methylsulfonylpyridine;2-fluoro-1-methyl-4-methylsulfonylbenzene;4-fluoro-5-methyl-2-methylsulfonylpyridine;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;1-methyl-4-methylsulfonylbenzene;5-methyl-2-methylsulfonylpyridine;1-methyl-4-methylsulfonyl-2-(trifluoromethyl)benzene;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 159943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).