6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene

C202H209Cl12F2N17O3S — CID 162088880

About 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene

6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene (PubChem CID 162088880) has the molecular formula C202H209Cl12F2N17O3S and a molecular weight of 3418.51 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene.

Molecular Properties

• Compound Name: 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene
• PubChem CID: 162088880
• Molecular Formula: C202H209Cl12F2N17O3S
• Molecular Weight: 3418.51 g/mol
• Exact Mass: 3410.27
• IUPAC Name: 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene
• SMILES: CCc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)cc1Cl.COc1ccc(C)cn1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc(Cl)ccn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1F.Cc1ccnc(N)c1.Cc1sc2cc(Cl)ccc2c1C.[H]/N=C(\N)c1cccc(C)c1
• InChI: InChI=1S/C11H11N.C11H10.C10H10ClN.C10H9ClS.2C10H11N.2C10H9N.3C9H8ClN.C9H12.C8H9ClO.C8H10N2.C8H10O.C7H6Cl2.C7H6ClF.C7H7Cl.C7H7F.C7H9NO.C7H8.C6H7ClN2.C6H6ClN.C6H8N2/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;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;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-3-9-6-4-8(2)5-7-9;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9)10;1-7-3-5-8(9-2)6-4-7;2*1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5/h3-7H,1-2H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*3-6,11H,1-2H3;2*2-7H,1H3;3*2-5,11H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3,(H3,9,10);3-6H,1-2H3;2*2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,8,9);2-4H,1H3;2-4H,1H3,(H2,7,8)
• InChIKey: ZDIGKJUXOXZTOU-UHFFFAOYSA-N
• XLogP: 61.06
• TPSA: 314.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3418.51
LogP ≤ 5	61.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene?

The IUPAC name of 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene (CID 162088880) is 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene.

What is the SMILES notation for 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene?

The canonical SMILES for 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene is CCc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)cc1Cl.COc1ccc(C)cn1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc(Cl)ccn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1F.Cc1ccnc(N)c1.Cc1sc2cc(Cl)ccc2c1C.[H]/N=C(\N)c1cccc(C)c1.

What is the InChIKey of 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene?

The InChIKey is ZDIGKJUXOXZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C11H10.C10H10ClN.C10H9ClS.2C10H11N.2C10H9N.3C9H8ClN.C9H12.C8H9ClO.C8H10N2.C8H10O.C7H6Cl2.C7H6ClF.C7H7Cl.C7H7F.C7H9NO.C7H8.C6H7ClN2.C6H6ClN.C6H8N2/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;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;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-3-9-6-4-8(2)5-7-9;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9)10;1-7-3-5-8(9-2)6-4-7;2*1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5/h3-7H,1-2H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*3-6,11H,1-2H3;2*2-7H,1H3;3*2-5,11H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3,(H3,9,10);3-6H,1-2H3;2*2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,8,9);2-4H,1H3;2-4H,1H3,(H2,7,8).

What are the key properties of 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene?

6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene has a molecular weight of 3418.51 g/mol, XLogP of 61.06, 5 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene is sourced from PubChem (CID 162088880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).