3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole

C₁₆₈H₁₃₉BrCl₁₇FN₂₀O₅S₆ — CID 159861703

About 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole

3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole (PubChem CID 159861703) has the molecular formula C₁₆₈H₁₃₉BrCl₁₇FN₂₀O₅S₆ and a molecular weight of 3412.10 g/mol. Its IUPAC name is 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole.

Molecular Properties

• Compound Name: 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole
• PubChem CID: 159861703
• Molecular Formula: C₁₆₈H₁₃₉BrCl₁₇FN₂₀O₅S₆
• Molecular Weight: 3412.10 g/mol
• Exact Mass: 3400.34
• IUPAC Name: 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole
• SMILES: Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)cnc2o1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc2c(Br)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2c1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(F)c[nH]c2c1.Cc1sc(Cl)cc1Cl.[C-]#[N+]c1c[nH]c2cc(C)ccc12
• InChI: InChI=1S/C10H8N2.C10H11N.C9H8BrN.2C9H8ClN.2C9H7ClO.C9H7ClS.C9H8FN.3C8H7ClN2.3C8H6ClNO.4C8H6ClNS.C5H4Cl2S/c1-7-3-4-8-9(5-7)12-6-10(8)11-2;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;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;1-6-4-7-5-8(10)2-3-9(7)11-6;3*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;1-5-2-8-6(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)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5;1-3-4(6)2-5(7)8-3/h3-6,12H,1H3;3-6,11H,1-2H3;3*2-5,11H,1H3;3*2-5H,1H3;2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);7*2-4H,1H3;2H,1H3
• InChIKey: NRFOFZGZYLBSBM-UHFFFAOYSA-N
• XLogP: 60.92
• TPSA: 341.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3412.10
LogP ≤ 5	60.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole?

The IUPAC name of 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole (CID 159861703) is 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole.

What is the SMILES notation for 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole?

The canonical SMILES for 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2o1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)cnc2o1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc2c(Br)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2c1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(F)c[nH]c2c1.Cc1sc(Cl)cc1Cl.[C-]#[N+]c1c[nH]c2cc(C)ccc12.

What is the InChIKey of 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole?

The InChIKey is NRFOFZGZYLBSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C10H11N.C9H8BrN.2C9H8ClN.2C9H7ClO.C9H7ClS.C9H8FN.3C8H7ClN2.3C8H6ClNO.4C8H6ClNS.C5H4Cl2S/c1-7-3-4-8-9(5-7)12-6-10(8)11-2;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;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;1-6-4-7-5-8(10)2-3-9(7)11-6;3*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;1-5-2-8-6(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)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5;1-3-4(6)2-5(7)8-3/h3-6,12H,1H3;3-6,11H,1-2H3;3*2-5,11H,1H3;3*2-5H,1H3;2-5,11H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);7*2-4H,1H3;2H,1H3.

What are the key properties of 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole?

3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole has a molecular weight of 3412.10 g/mol, XLogP of 60.92, 0 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-methyl-1H-indole;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;3-chloro-6-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;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-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;3-fluoro-6-methyl-1H-indole;3-isocyano-6-methyl-1H-indole is sourced from PubChem (CID 159861703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159861703 — identifiers, structure, computed properties (public domain)

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