2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate

C182H196BBrCl3F3N8O30 — CID 162196646

About 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate

2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate (PubChem CID 162196646) has the molecular formula C182H196BBrCl3F3N8O30 and a molecular weight of 3229.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate
• PubChem CID: 162196646
• Molecular Formula: C182H196BBrCl3F3N8O30
• Molecular Weight: 3229.66 g/mol
• Exact Mass: 3225.24
• IUPAC Name: 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate
• SMILES: CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C.COC(=O)c1ccc(Br)cc1F.COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1F.COC(=O)c1ccc(C2CCC(=O)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC(N3CCCC3c3ccccc3Cl)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC(N3CCCC3c3ccccc3Cl)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1F.COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1Oc1cnc2c(c1)C=CC2.Clc1ccccc1C1CCCN1.Oc1cnc2c(c1)C=CC2
• InChI: InChI=1S/2C32H33ClN2O3.C24H25NO5.C22H21NO4.C16H19FO4.C16H17FO4.C14H23BO4.C10H12ClN.C8H6BrFO2.C8H7NO/c2*1-37-32(36)27-16-13-22(19-31(27)38-25-18-23-6-4-9-29(23)34-20-25)21-11-14-24(15-12-21)35-17-5-10-30(35)26-7-2-3-8-28(26)33;1-27-23(26)20-6-5-17(16-7-9-24(10-8-16)28-11-12-29-24)14-22(20)30-19-13-18-3-2-4-21(18)25-15-19;1-26-22(25)19-10-7-15(14-5-8-17(24)9-6-14)12-21(19)27-18-11-16-3-2-4-20(16)23-13-18;2*1-19-15(18)13-3-2-12(10-14(13)17)11-4-6-16(7-5-11)20-8-9-21-16;1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;11-9-5-2-1-4-8(9)10-6-3-7-12-10;1-12-8(11)6-3-2-5(9)4-7(6)10;10-7-4-6-2-1-3-8(6)9-5-7/h2*2-4,6-8,13,16,18-21,24,30H,5,9-12,14-15,17H2,1H3;2-3,5-6,13-16H,4,7-12H2,1H3;2-3,7,10-14H,4-6,8-9H2,1H3;2-3,10-11H,4-9H2,1H3;2-4,10H,5-9H2,1H3;5H,6-10H2,1-4H3;1-2,4-5,10,12H,3,6-7H2;2-4H,1H3;1-2,4-5,10H,3H2
• InChIKey: ZRAJXISNPHWENG-UHFFFAOYSA-N
• XLogP: 39.48
• TPSA: 433.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3229.66
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate?

The IUPAC name of 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate (CID 162196646) is 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate.

What is the SMILES notation for 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate?

The canonical SMILES for 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate is CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C.COC(=O)c1ccc(Br)cc1F.COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1F.COC(=O)c1ccc(C2CCC(=O)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC(N3CCCC3c3ccccc3Cl)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC(N3CCCC3c3ccccc3Cl)CC2)cc1Oc1cnc2c(c1)C=CC2.COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1F.COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1Oc1cnc2c(c1)C=CC2.Clc1ccccc1C1CCCN1.Oc1cnc2c(c1)C=CC2.

What is the InChIKey of 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate?

The InChIKey is ZRAJXISNPHWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H33ClN2O3.C24H25NO5.C22H21NO4.C16H19FO4.C16H17FO4.C14H23BO4.C10H12ClN.C8H6BrFO2.C8H7NO/c2*1-37-32(36)27-16-13-22(19-31(27)38-25-18-23-6-4-9-29(23)34-20-25)21-11-14-24(15-12-21)35-17-5-10-30(35)26-7-2-3-8-28(26)33;1-27-23(26)20-6-5-17(16-7-9-24(10-8-16)28-11-12-29-24)14-22(20)30-19-13-18-3-2-4-21(18)25-15-19;1-26-22(25)19-10-7-15(14-5-8-17(24)9-6-14)12-21(19)27-18-11-16-3-2-4-20(16)23-13-18;2*1-19-15(18)13-3-2-12(10-14(13)17)11-4-6-16(7-5-11)20-8-9-21-16;1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;11-9-5-2-1-4-8(9)10-6-3-7-12-10;1-12-8(11)6-3-2-5(9)4-7(6)10;10-7-4-6-2-1-3-8(6)9-5-7/h2*2-4,6-8,13,16,18-21,24,30H,5,9-12,14-15,17H2,1H3;2-3,5-6,13-16H,4,7-12H2,1H3;2-3,7,10-14H,4-6,8-9H2,1H3;2-3,10-11H,4-9H2,1H3;2-4,10H,5-9H2,1H3;5H,6-10H2,1-4H3;1-2,4-5,10,12H,3,6-7H2;2-4H,1H3;1-2,4-5,10H,3H2.

What are the key properties of 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate?

2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate has a molecular weight of 3229.66 g/mol, XLogP of 39.48, 27 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)pyrrolidine;7H-cyclopenta[b]pyridin-3-ol;2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromo-2-fluorobenzoate;bis(methyl 4-[4-[2-(2-chlorophenyl)pyrrolidin-1-yl]cyclohexyl]-2-(7H-cyclopenta[b]pyridin-3-yloxy)benzoate);methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoate;methyl 2-(7H-cyclopenta[b]pyridin-3-yloxy)-4-(4-oxocyclohexyl)benzoate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzoate;methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-fluorobenzoate is sourced from PubChem (CID 162196646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).