5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol

C71H58BrClF4N10O12S2 — CID 161080556

About 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol (PubChem CID 161080556) has the molecular formula C71H58BrClF4N10O12S2 and a molecular weight of 1498.79 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol.

Molecular Properties

• Compound Name: 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol
• PubChem CID: 161080556
• Molecular Formula: C71H58BrClF4N10O12S2
• Molecular Weight: 1498.79 g/mol
• Exact Mass: 1496.25
• IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol
• SMILES: COC(=O)c1cnc2[nH]ccc2c1.COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1.O=C(Cc1cccc(F)c1F)c1c[nH]c2ncc(CO)cc12.O=C(Cl)Cc1cccc(F)c1F.OCc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C16H12F2N2O2.C16H14N2O4S.C14H11BrN2O2S.C9H8N2O2.C8H5ClF2O.C8H8N2O/c17-13-3-1-2-10(15(13)18)5-14(22)12-7-20-16-11(12)4-9(8-21)6-19-16;1-11-3-5-14(6-4-11)23(20,21)18-8-7-12-9-13(16(19)22-2)10-17-15(12)18;1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17;1-13-9(12)7-4-6-2-3-10-8(6)11-5-7;9-7(12)4-5-2-1-3-6(10)8(5)11;11-5-6-3-7-1-2-9-8(7)10-4-6/h1-4,6-7,21H,5,8H2,(H,19,20);3-10H,1-2H3;2-9H,1H3;2-5H,1H3,(H,10,11);1-3H,4H2;1-4,11H,5H2,(H,9,10)
• InChIKey: UFVXZIPUISDKSG-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 317.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.79
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol?

The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol (CID 161080556) is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol.

What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol?

The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol is COC(=O)c1cnc2[nH]ccc2c1.COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1.Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1.O=C(Cc1cccc(F)c1F)c1c[nH]c2ncc(CO)cc12.O=C(Cl)Cc1cccc(F)c1F.OCc1cnc2[nH]ccc2c1.

What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol?

The InChIKey is UFVXZIPUISDKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2.C16H14N2O4S.C14H11BrN2O2S.C9H8N2O2.C8H5ClF2O.C8H8N2O/c17-13-3-1-2-10(15(13)18)5-14(22)12-7-20-16-11(12)4-9(8-21)6-19-16;1-11-3-5-14(6-4-11)23(20,21)18-8-7-12-9-13(16(19)22-2)10-17-15(12)18;1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17;1-13-9(12)7-4-6-2-3-10-8(6)11-5-7;9-7(12)4-5-2-1-3-6(10)8(5)11;11-5-6-3-7-1-2-9-8(7)10-4-6/h1-4,6-7,21H,5,8H2,(H,19,20);3-10H,1-2H3;2-9H,1H3;2-5H,1H3,(H,10,11);1-3H,4H2;1-4,11H,5H2,(H,9,10).

What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol?

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol has a molecular weight of 1498.79 g/mol, XLogP of 13.15, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-(2,3-difluorophenyl)acetyl chloride;2-(2,3-difluorophenyl)-1-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone;methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;1H-pyrrolo[2,3-b]pyridin-5-ylmethanol is sourced from PubChem (CID 161080556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).