2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine

C129H150BBr7ClN18O23S3+ — CID 162266773

About 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine

2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine (PubChem CID 162266773) has the molecular formula C129H150BBr7ClN18O23S3+ and a molecular weight of 3022.52 g/mol. Its IUPAC name is 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162266773
• Molecular Formula: C129H150BBr7ClN18O23S3+
• Molecular Weight: 3022.52 g/mol
• Exact Mass: 3013.43
• IUPAC Name: 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1cc2cccnc2[nH]1.C.C.C.C.C.C.C.CC(C)(C)OC(=O)Oc1ccc2cc(Br)n(C(=O)OC(C)(C)C)c2n1.CC(C)(C)OC(=O)n1c(Br)cc2ccc(=O)[nH]c21.CC(C)Oc1ccc(-n2c(=O)ccc3cc(Br)n(C(=O)OC(C)(C)C)c32)cc1.CC(C)Oc1ccc(B(O)O)cc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2c(Br)cc3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1.O=c1ccc2cc(Br)[nH]c2[nH]1.O[n+]1cccc2cc(Br)[nH]c21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H23BrN2O4.C17H21BrN2O5.C14H11BrN2O2S.C14H12N2O2S.C12H13BrN2O3.C9H13BO3.2C7H5BrN2O.C7H5BrN2.C7H7ClO2S.C7H6N2.7CH4/c1-13(2)27-16-9-7-15(8-10-16)23-18(25)11-6-14-12-17(22)24(19(14)23)20(26)28-21(3,4)5;1-16(2,3)24-14(21)20-11(18)9-10-7-8-12(19-13(10)20)23-15(22)25-17(4,5)6;1-10-4-6-12(7-5-10)20(18,19)17-13(15)9-11-3-2-8-16-14(11)17;1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16;1-12(2,3)18-11(17)15-8(13)6-7-4-5-9(16)14-10(7)15;1-7(2)13-9-5-3-8(4-6-9)10(11)12;8-5-3-4-1-2-6(11)10-7(4)9-5;8-6-4-5-2-1-3-10(11)7(5)9-6;8-6-4-5-2-1-3-9-7(5)10-6;1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-3-5-9-7(6)8-4-1;;;;;;;/h6-13H,1-5H3;7-9H,1-6H3;2-9H,1H3;2-10H,1H3;4-6H,1-3H3,(H,14,16);3-7,11-12H,1-2H3;1-3H,(H2,9,10,11);1-4,11H;1-4H,(H,9,10);2-5H,1H3;1-5H,(H,8,9);7*1H4/p+1
• InChIKey: GYPCJOHZNSACQZ-UHFFFAOYSA-O
• XLogP: 32.31
• TPSA: 539.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3022.52
LogP ≤ 5	32.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine (CID 162266773) is 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine is Brc1cc2cccnc2[nH]1.C.C.C.C.C.C.C.CC(C)(C)OC(=O)Oc1ccc2cc(Br)n(C(=O)OC(C)(C)C)c2n1.CC(C)(C)OC(=O)n1c(Br)cc2ccc(=O)[nH]c21.CC(C)Oc1ccc(-n2c(=O)ccc3cc(Br)n(C(=O)OC(C)(C)C)c32)cc1.CC(C)Oc1ccc(B(O)O)cc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2c(Br)cc3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1.O=c1ccc2cc(Br)[nH]c2[nH]1.O[n+]1cccc2cc(Br)[nH]c21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GYPCJOHZNSACQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23BrN2O4.C17H21BrN2O5.C14H11BrN2O2S.C14H12N2O2S.C12H13BrN2O3.C9H13BO3.2C7H5BrN2O.C7H5BrN2.C7H7ClO2S.C7H6N2.7CH4/c1-13(2)27-16-9-7-15(8-10-16)23-18(25)11-6-14-12-17(22)24(19(14)23)20(26)28-21(3,4)5;1-16(2,3)24-14(21)20-11(18)9-10-7-8-12(19-13(10)20)23-15(22)25-17(4,5)6;1-10-4-6-12(7-5-10)20(18,19)17-13(15)9-11-3-2-8-16-14(11)17;1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16;1-12(2,3)18-11(17)15-8(13)6-7-4-5-9(16)14-10(7)15;1-7(2)13-9-5-3-8(4-6-9)10(11)12;8-5-3-4-1-2-6(11)10-7(4)9-5;8-6-4-5-2-1-3-10(11)7(5)9-6;8-6-4-5-2-1-3-9-7(5)10-6;1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-3-5-9-7(6)8-4-1;;;;;;;/h6-13H,1-5H3;7-9H,1-6H3;2-9H,1H3;2-10H,1H3;4-6H,1-3H3,(H,14,16);3-7,11-12H,1-2H3;1-3H,(H2,9,10,11);1-4,11H;1-4H,(H,9,10);2-5H,1H3;1-5H,(H,8,9);7*1H4/p+1.

What are the key properties of 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine?

2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3022.52 g/mol, XLogP of 32.31, 12 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,7-dihydropyrrolo[2,3-b]pyridin-6-one;2-bromo-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-bromo-6-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7-(4-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-bromo-6-oxo-7H-pyrrolo[2,3-b]pyridine-1-carboxylate;methane;4-methylbenzenesulfonyl chloride;1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(4-propan-2-yloxyphenyl)boronic acid;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162266773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).