4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C149H169B3Br2ClIN14O28S2 — CID 158141153

About 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158141153) has the molecular formula C149H169B3Br2ClIN14O28S2 and a molecular weight of 3022.80 g/mol. Its IUPAC name is 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158141153
• Molecular Formula: C149H169B3Br2ClIN14O28S2
• Molecular Weight: 3022.80 g/mol
• Exact Mass: 3018.91
• IUPAC Name: 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C1CCNC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccc(C(=O)N3CCCC3)cc1OC)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3OC)cc12.COc1cc(C(=O)N2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1.COc1cc(C(=O)N2CCCC2)ccc1Br.COc1cc(C(=O)O)ccc1Br.O=C(Cl)C1CC1
• InChI: InChI=1S/C41H38N4O6S.C29H24IN3O4S.C21H22N4O4.C18H26BNO4.C12H24B2O4.C12H14BrNO2.C8H7BrO3.C4H5ClO.C4H9N/c1-50-37-24-31(40(46)43-22-12-13-23-43)20-21-33(37)36-25-34-35(41(47)51-2)26-42-39(38(34)45(36)52(48,49)32-18-10-5-11-19-32)44(27-29-14-6-3-7-15-29)28-30-16-8-4-9-17-30;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-28-17-9-12(20(26)25-7-3-4-8-25)5-6-13(17)16-10-14-15(21(27)29-2)11-23-19(22)18(14)24-16;1-17(2)18(3,4)24-19(23-17)14-9-8-13(12-15(14)22-5)16(21)20-10-6-7-11-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-11-8-9(4-5-10(11)13)12(15)14-6-2-3-7-14;1-12-7-4-5(8(10)11)2-3-6(7)9;5-4(6)3-1-2-3;1-2-4-5-3-1/h3-11,14-21,24-26H,12-13,22-23,27-28H2,1-2H3;2-18H,19-20H2,1H3;5-6,9-11,24H,3-4,7-8H2,1-2H3,(H2,22,23);8-9,12H,6-7,10-11H2,1-5H3;1-8H3;4-5,8H,2-3,6-7H2,1H3;2-4H,1H3,(H,10,11);3H,1-2H2;5H,1-4H2
• InChIKey: FTYLIYLJZSRKPP-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 493.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3022.80
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158141153) is 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C1CCNC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccc(C(=O)N3CCCC3)cc1OC)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3OC)cc12.COc1cc(C(=O)N2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1.COc1cc(C(=O)N2CCCC2)ccc1Br.COc1cc(C(=O)O)ccc1Br.O=C(Cl)C1CC1.

What is the InChIKey of 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FTYLIYLJZSRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O6S.C29H24IN3O4S.C21H22N4O4.C18H26BNO4.C12H24B2O4.C12H14BrNO2.C8H7BrO3.C4H5ClO.C4H9N/c1-50-37-24-31(40(46)43-22-12-13-23-43)20-21-33(37)36-25-34-35(41(47)51-2)26-42-39(38(34)45(36)52(48,49)32-18-10-5-11-19-32)44(27-29-14-6-3-7-15-29)28-30-16-8-4-9-17-30;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-28-17-9-12(20(26)25-7-3-4-8-25)5-6-13(17)16-10-14-15(21(27)29-2)11-23-19(22)18(14)24-16;1-17(2)18(3,4)24-19(23-17)14-9-8-13(12-15(14)22-5)16(21)20-10-6-7-11-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-11-8-9(4-5-10(11)13)12(15)14-6-2-3-7-14;1-12-7-4-5(8(10)11)2-3-6(7)9;5-4(6)3-1-2-3;1-2-4-5-3-1/h3-11,14-21,24-26H,12-13,22-23,27-28H2,1-2H3;2-18H,19-20H2,1H3;5-6,9-11,24H,3-4,7-8H2,1-2H3,(H2,22,23);8-9,12H,6-7,10-11H2,1-5H3;1-8H3;4-5,8H,2-3,6-7H2,1H3;2-4H,1H3,(H,10,11);3H,1-2H2;5H,1-4H2.

What are the key properties of 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3022.80 g/mol, XLogP of 26.75, 32 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone;cyclopropanecarbonyl chloride;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone;methyl 7-amino-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;pyrrolidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158141153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).