5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid

C50H45Br2ClIN11O5 — CID 157202264

About 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 157202264) has the molecular formula C50H45Br2ClIN11O5 and a molecular weight of 1202.15 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 157202264
• Molecular Formula: C50H45Br2ClIN11O5
• Molecular Weight: 1202.15 g/mol
• Exact Mass: 1199.07
• IUPAC Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: Brc1cnc2[nH]ccc2c1.CI.COC(=O)c1cnc2c(ccn2C)c1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C(=O)Nc3ccc(Cl)cc3)cnc21.Cn1ccc2cc(C(=O)O)cnc21
• InChI: InChI=1S/C15H12ClN3O.C10H10N2O2.C9H8N2O2.C8H7BrN2.C7H5BrN2.CH3I/c1-19-7-6-10-8-11(9-17-14(10)19)15(20)18-13-4-2-12(16)3-5-13;1-12-4-3-7-5-8(10(13)14-2)6-11-9(7)12;1-11-3-2-6-4-7(9(12)13)5-10-8(6)11;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;1-2/h2-9H,1H3,(H,18,20);3-6H,1-2H3;2-5H,1H3,(H,12,13);2-5H,1H3;1-4H,(H,9,10);1H3
• InChIKey: AQXWNRSHWKTSJG-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 192.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.15
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 157202264) is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid is Brc1cnc2[nH]ccc2c1.CI.COC(=O)c1cnc2c(ccn2C)c1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C(=O)Nc3ccc(Cl)cc3)cnc21.Cn1ccc2cc(C(=O)O)cnc21.

What is the InChIKey of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is AQXWNRSHWKTSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O.C10H10N2O2.C9H8N2O2.C8H7BrN2.C7H5BrN2.CH3I/c1-19-7-6-10-8-11(9-17-14(10)19)15(20)18-13-4-2-12(16)3-5-13;1-12-4-3-7-5-8(10(13)14-2)6-11-9(7)12;1-11-3-2-6-4-7(9(12)13)5-10-8(6)11;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;1-2/h2-9H,1H3,(H,18,20);3-6H,1-2H3;2-5H,1H3,(H,12,13);2-5H,1H3;1-4H,(H,9,10);1H3.

What are the key properties of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 1202.15 g/mol, XLogP of 11.82, 4 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;iodomethane;methyl 1-methylpyrrolo[2,3-b]pyridine-5-carboxylate;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 157202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).