3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole

C₅₇H₅₂Cl₇N₉S — CID 158216497

About 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole

3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole (PubChem CID 158216497) has the molecular formula C₅₇H₅₂Cl₇N₉S and a molecular weight of 1143.34 g/mol. Its IUPAC name is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole.

Molecular Properties

• Compound Name: 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole
• PubChem CID: 158216497
• Molecular Formula: C₅₇H₅₂Cl₇N₉S
• Molecular Weight: 1143.34 g/mol
• Exact Mass: 1139.19
• IUPAC Name: 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole
• SMILES: Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1sc(Cl)cc1Cl
• InChI: InChI=1S/C10H11N.2C9H8ClN.3C8H7ClN2.C5H4Cl2S/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-3-4(6)2-5(7)8-3/h3-6,11H,1-2H3;2*2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2H,1H3
• InChIKey: GCSGSBJXTGSWAM-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 133.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1143.34
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?

The IUPAC name of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole (CID 158216497) is 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole.

What is the SMILES notation for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?

The canonical SMILES for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1sc(Cl)cc1Cl.

What is the InChIKey of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?

The InChIKey is GCSGSBJXTGSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C9H8ClN.3C8H7ClN2.C5H4Cl2S/c1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-3-4(6)2-5(7)8-3/h3-6,11H,1-2H3;2*2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2H,1H3.

What are the key properties of 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole?

3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole has a molecular weight of 1143.34 g/mol, XLogP of 19.98, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole is sourced from PubChem (CID 158216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158216497 — identifiers, structure, computed properties (public domain)

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