3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole

C87H95BBr2N8O11 — CID 158147216

About 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole

3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole (PubChem CID 158147216) has the molecular formula C87H95BBr2N8O11 and a molecular weight of 1599.38 g/mol. Its IUPAC name is 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole.

Molecular Properties

• Compound Name: 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole
• PubChem CID: 158147216
• Molecular Formula: C87H95BBr2N8O11
• Molecular Weight: 1599.38 g/mol
• Exact Mass: 1596.56
• IUPAC Name: 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole
• SMILES: COc1ccc(-c2c(C)n(CC(=O)OC(C)(C)C)c3ccccc23)cn1.COc1ccc(B(O)O)cn1.Cc1[nH]c2ccccc2c1Br.Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2ccccc2n1CC(=O)OC(C)(C)C.Cc1c(Br)c2ccccc2n1CC(=O)OC(C)(C)C.Cc1cc2ccccc2[nH]1
• InChI: InChI=1S/C27H28N2O3.C21H24N2O3.C15H18BrNO2.C9H8BrN.C9H9N.C6H8BNO3/c1-19-26(21-14-15-24(30)28(17-21)16-20-10-6-5-7-11-20)22-12-8-9-13-23(22)29(19)18-25(31)32-27(2,3)4;1-14-20(15-10-11-18(25-5)22-12-15)16-8-6-7-9-17(16)23(14)13-19(24)26-21(2,3)4;1-10-14(16)11-7-5-6-8-12(11)17(10)9-13(18)19-15(2,3)4;1-6-9(10)7-4-2-3-5-8(7)11-6;1-7-6-8-4-2-3-5-9(8)10-7;1-11-6-3-2-5(4-8-6)7(9)10/h5-15,17H,16,18H2,1-4H3;6-12H,13H2,1-5H3;5-8H,9H2,1-4H3;2-5,11H,1H3;2-6,10H,1H3;2-4,9-10H,1H3
• InChIKey: FUQVOLBNSXGOLM-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 231.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.38
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole?

The IUPAC name of 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole (CID 158147216) is 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole.

What is the SMILES notation for 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole?

The canonical SMILES for 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole is COc1ccc(-c2c(C)n(CC(=O)OC(C)(C)C)c3ccccc23)cn1.COc1ccc(B(O)O)cn1.Cc1[nH]c2ccccc2c1Br.Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2ccccc2n1CC(=O)OC(C)(C)C.Cc1c(Br)c2ccccc2n1CC(=O)OC(C)(C)C.Cc1cc2ccccc2[nH]1.

What is the InChIKey of 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole?

The InChIKey is FUQVOLBNSXGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3.C21H24N2O3.C15H18BrNO2.C9H8BrN.C9H9N.C6H8BNO3/c1-19-26(21-14-15-24(30)28(17-21)16-20-10-6-5-7-11-20)22-12-8-9-13-23(22)29(19)18-25(31)32-27(2,3)4;1-14-20(15-10-11-18(25-5)22-12-15)16-8-6-7-9-17(16)23(14)13-19(24)26-21(2,3)4;1-10-14(16)11-7-5-6-8-12(11)17(10)9-13(18)19-15(2,3)4;1-6-9(10)7-4-2-3-5-8(7)11-6;1-7-6-8-4-2-3-5-9(8)10-7;1-11-6-3-2-5(4-8-6)7(9)10/h5-15,17H,16,18H2,1-4H3;6-12H,13H2,1-5H3;5-8H,9H2,1-4H3;2-5,11H,1H3;2-6,10H,1H3;2-4,9-10H,1H3.

What are the key properties of 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole?

3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole has a molecular weight of 1599.38 g/mol, XLogP of 18.07, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-methyl-1H-indole;tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-methylindol-1-yl]acetate;tert-butyl 2-(3-bromo-2-methylindol-1-yl)acetate;tert-butyl 2-[3-(6-methoxy-3-pyridinyl)-2-methylindol-1-yl]acetate;(6-methoxy-3-pyridinyl)boronic acid;2-methyl-1H-indole is sourced from PubChem (CID 158147216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).