1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine

C67H51Br6I2N9O6S3 — CID 159469160

About 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine

1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine (PubChem CID 159469160) has the molecular formula C67H51Br6I2N9O6S3 and a molecular weight of 1907.63 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine
• PubChem CID: 159469160
• Molecular Formula: C67H51Br6I2N9O6S3
• Molecular Weight: 1907.63 g/mol
• Exact Mass: 1900.63
• IUPAC Name: 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine
• SMILES: Brc1cnc2c(c1)C=CC2.CC1=C(I)c2cc(Br)cnc2C1.CC1=Cc2cc(Br)cnc2C1.Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21
• InChI: InChI=1S/C14H10BrIN2O2S.C14H11BrN2O2S.C13H9BrN2O2S.C9H7BrIN.C9H8BrN.C8H6BrN/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;1-10-7-11-8-12(15)9-16-14(11)17(10)20(18,19)13-5-3-2-4-6-13;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;1-5-2-8-7(9(5)11)3-6(10)4-12-8;1-6-2-7-4-8(10)5-11-9(7)3-6;9-7-4-6-2-1-3-8(6)10-5-7/h2-8H,1H3;2-9H,1H3;1-9H;3-4H,2H2,1H3;2,4-5H,3H2,1H3;1-2,4-5H,3H2
• InChIKey: LVOQZONOOYXSOW-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 194.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.63
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine?

The IUPAC name of 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine (CID 159469160) is 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine is Brc1cnc2c(c1)C=CC2.CC1=C(I)c2cc(Br)cnc2C1.CC1=Cc2cc(Br)cnc2C1.Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine?

The InChIKey is LVOQZONOOYXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O2S.C14H11BrN2O2S.C13H9BrN2O2S.C9H7BrIN.C9H8BrN.C8H6BrN/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;1-10-7-11-8-12(15)9-16-14(11)17(10)20(18,19)13-5-3-2-4-6-13;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;1-5-2-8-7(9(5)11)3-6(10)4-12-8;1-6-2-7-4-8(10)5-11-9(7)3-6;9-7-4-6-2-1-3-8(6)10-5-7/h2-8H,1H3;2-9H,1H3;1-9H;3-4H,2H2,1H3;2,4-5H,3H2,1H3;1-2,4-5H,3H2.

What are the key properties of 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine?

1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine has a molecular weight of 1907.63 g/mol, XLogP of 19.11, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-6-methyl-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-6-methyl-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159469160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).