5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

C103H148BBr2Cl2N11O13S — CID 163610448

About 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163610448) has the molecular formula C103H148BBr2Cl2N11O13S and a molecular weight of 2021.97 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 163610448
• Molecular Formula: C103H148BBr2Cl2N11O13S
• Molecular Weight: 2021.97 g/mol
• Exact Mass: 2017.88
• IUPAC Name: 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
• SMILES: C.CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(C)CCCl.CN(C)CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CN(C)CCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.CN(C)CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Clc1ccc(Br)cn1
• InChI: InChI=1S/C21H25BN2O5S.C20H26BrN3O.C20H32N2O3.C16H23NO3.C15H24N2O.C5H3BrClN.C5H11Cl.CH4/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-23(2)13-14-25-19-6-3-16(4-7-19)17-9-11-24(12-10-17)20-8-5-18(21)15-22-20;1-20(2,3)25-19(23)22-12-10-17(11-13-22)16-6-8-18(9-7-16)24-15-14-21(4)5;1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12;1-17(2)11-12-18-15-5-3-13(4-6-15)14-7-9-16-10-8-14;6-4-1-2-5(7)8-3-4;1-5(2)3-4-6;/h7-13H,1-6H3;3-8,15,17H,9-14H2,1-2H3;6-9,17H,10-15H2,1-5H3;4-7,13,18H,8-11H2,1-3H3;3-6,14,16H,7-12H2,1-2H3;1-3H;5H,3-4H2,1-2H3;1H4
• InChIKey: HFLKKGAFSZJPFY-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 237.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.97
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (CID 163610448) is 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is C.CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(C)CCCl.CN(C)CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CN(C)CCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.CN(C)CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Clc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is HFLKKGAFSZJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BN2O5S.C20H26BrN3O.C20H32N2O3.C16H23NO3.C15H24N2O.C5H3BrClN.C5H11Cl.CH4/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-23(2)13-14-25-19-6-3-16(4-7-19)17-9-11-24(12-10-17)20-8-5-18(21)15-22-20;1-20(2,3)25-19(23)22-12-10-17(11-13-22)16-6-8-18(9-7-16)24-15-14-21(4)5;1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12;1-17(2)11-12-18-15-5-3-13(4-6-15)14-7-9-16-10-8-14;6-4-1-2-5(7)8-3-4;1-5(2)3-4-6;/h7-13H,1-6H3;3-8,15,17H,9-14H2,1-2H3;6-9,17H,10-15H2,1-5H3;4-7,13,18H,8-11H2,1-3H3;3-6,14,16H,7-12H2,1-2H3;1-3H;5H,3-4H2,1-2H3;1H4.

What are the key properties of 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2021.97 g/mol, XLogP of 21.10, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyridine;2-[4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]phenoxy]-N,N-dimethylethanamine;tert-butyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;1-chloro-3-methylbutane;N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;methane;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163610448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).