2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one

C189H181Cl3F7N21O7S6 — CID 157104491

About 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one

2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 157104491) has the molecular formula C189H181Cl3F7N21O7S6 and a molecular weight of 3290.41 g/mol. Its IUPAC name is 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 157104491
• Molecular Formula: C189H181Cl3F7N21O7S6
• Molecular Weight: 3290.41 g/mol
• Exact Mass: 3286.17
• IUPAC Name: 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
• SMILES: Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1
• InChI: InChI=1S/C12H12O2S.2C11H9Cl.C11H9F.C11H11NO2S.C11H11N.C10H8FN.2C10H11N.C10H10S.C9H8FN.C9H7FS.C9H9N3O.C9H8N2O2.C9H9NS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C5H5ClN2.C5H5FN2/c1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;2*1-4-7-2-5(6)3-8-4/h3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);3-7H,1-2H3;2-6H,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-3H,1H3
• InChIKey: AGDKIXFPDVDMSI-UHFFFAOYSA-N
• XLogP: 50.58
• TPSA: 416.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 4
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3290.41
LogP ≤ 5	50.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one (CID 157104491) is 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one is Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.

What is the InChIKey of 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The InChIKey is AGDKIXFPDVDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S.2C11H9Cl.C11H9F.C11H11NO2S.C11H11N.C10H8FN.2C10H11N.C10H10S.C9H8FN.C9H7FS.C9H9N3O.C9H8N2O2.C9H9NS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C5H5ClN2.C5H5FN2/c1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;2*1-4-7-2-5(6)3-8-4/h3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);3-7H,1-2H3;2-6H,1H3;2*3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-3H,1H3.

What are the key properties of 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 3290.41 g/mol, XLogP of 50.58, 4 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 157104491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).