6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate

C94H82Br2N12O19S2 — CID 160672286

About 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate

6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate (PubChem CID 160672286) has the molecular formula C94H82Br2N12O19S2 and a molecular weight of 1907.70 g/mol. Its IUPAC name is 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate
• PubChem CID: 160672286
• Molecular Formula: C94H82Br2N12O19S2
• Molecular Weight: 1907.70 g/mol
• Exact Mass: 1904.36
• IUPAC Name: 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate
• SMILES: COC(=O)C(O)c1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)n1.COC(=O)C(O)c1cccc(Br)n1.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cccc(C(O)C(=O)O)n3)cc12.O=Cc1cccc(Br)n1
• InChI: InChI=1S/C29H25N3O6S.C28H23N3O6S.C23H22N4O3.C8H8BrNO3.C6H4BrNO/c1-18-11-13-20(14-12-18)39(35,36)32-17-23(21-7-4-5-10-26(21)37-2)22-15-19(16-30-28(22)32)24-8-6-9-25(31-24)27(33)29(34)38-3;1-17-10-12-19(13-11-17)38(35,36)31-16-22(20-6-3-4-9-25(20)37-2)21-14-18(15-29-27(21)31)23-7-5-8-24(30-23)26(32)28(33)34;1-27(2)23(29)21(28)19-9-6-8-18(26-19)14-11-16-17(13-25-22(16)24-12-14)15-7-4-5-10-20(15)30-3;1-13-8(12)7(11)5-3-2-4-6(9)10-5;7-6-3-1-2-5(4-9)8-6/h4-17,27,33H,1-3H3;3-16,26,32H,1-2H3,(H,33,34);4-13,21,28H,1-3H3,(H,24,25);2-4,7,11H,1H3;1-4H
• InChIKey: RNBRKTWXGQKWGL-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 432.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.70
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate?

The IUPAC name of 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate (CID 160672286) is 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate.

What is the SMILES notation for 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate?

The canonical SMILES for 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate is COC(=O)C(O)c1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)n1.COC(=O)C(O)c1cccc(Br)n1.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cccc(C(O)C(=O)O)n3)cc12.O=Cc1cccc(Br)n1.

What is the InChIKey of 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate?

The InChIKey is RNBRKTWXGQKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O6S.C28H23N3O6S.C23H22N4O3.C8H8BrNO3.C6H4BrNO/c1-18-11-13-20(14-12-18)39(35,36)32-17-23(21-7-4-5-10-26(21)37-2)22-15-19(16-30-28(22)32)24-8-6-9-25(31-24)27(33)29(34)38-3;1-17-10-12-19(13-11-17)38(35,36)31-16-22(20-6-3-4-9-25(20)37-2)21-14-18(15-29-27(21)31)23-7-5-8-24(30-23)26(32)28(33)34;1-27(2)23(29)21(28)19-9-6-8-18(26-19)14-11-16-17(13-25-22(16)24-12-14)15-7-4-5-10-20(15)30-3;1-13-8(12)7(11)5-3-2-4-6(9)10-5;7-6-3-1-2-5(4-9)8-6/h4-17,27,33H,1-3H3;3-16,26,32H,1-2H3,(H,33,34);4-13,21,28H,1-3H3,(H,24,25);2-4,7,11H,1H3;1-4H.

What are the key properties of 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate?

6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate has a molecular weight of 1907.70 g/mol, XLogP of 15.09, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-2-carbaldehyde;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetic acid;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetate is sourced from PubChem (CID 160672286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).