5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride

C170H222BBr2Cl2FN16O19S2 — CID 163522198

About 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride

5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride (PubChem CID 163522198) has the molecular formula C170H222BBr2Cl2FN16O19S2 and a molecular weight of 3118.40 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride
• PubChem CID: 163522198
• Molecular Formula: C170H222BBr2Cl2FN16O19S2
• Molecular Weight: 3118.40 g/mol
• Exact Mass: 3113.42
• IUPAC Name: 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(C)CCCl.CC(C)CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1.CC(C)CCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.CC(C)CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCC(C)C)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Cl.Fc1ccc(Br)cn1
• InChI: InChI=1S/C36H40N4O4S.C29H34N4O2.C21H25BN2O5S.C21H27BrN2O.C21H33NO3.C16H23NO3.C16H25NO.C5H3BrFN.C5H11Cl.ClH/c1-25(2)18-22-44-30-10-7-27(8-11-30)28-15-19-39(20-16-28)34-14-9-29(23-37-34)33-24-38(4)36(41)35-32(33)17-21-40(35)45(42,43)31-12-5-26(3)6-13-31;1-20(2)13-17-35-24-7-4-21(5-8-24)22-11-15-33(16-12-22)27-9-6-23(18-31-27)26-19-32(3)29(34)28-25(26)10-14-30-28;1-14-7-9-15(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;1-16(2)11-14-25-20-6-3-17(4-7-20)18-9-12-24(13-10-18)21-8-5-19(22)15-23-21;1-16(2)12-15-24-19-8-6-17(7-9-19)18-10-13-22(14-11-18)20(23)25-21(3,4)5;1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12;1-13(2)9-12-18-16-5-3-14(4-6-16)15-7-10-17-11-8-15;6-4-1-2-5(7)8-3-4;1-5(2)3-4-6;/h5-14,17,21,23-25,28H,15-16,18-20,22H2,1-4H3;4-10,14,18-20,22,30H,11-13,15-17H2,1-3H3;7-13H,1-6H3;3-8,15-16,18H,9-14H2,1-2H3;6-9,16,18H,10-15H2,1-5H3;4-7,13,18H,8-11H2,1-3H3;3-6,13,15,17H,7-12H2,1-2H3;1-3H;5H,3-4H2,1-2H3;1H
• InChIKey: PPCOPJGKSYFHRO-UHFFFAOYSA-N
• XLogP: 37.32
• TPSA: 377.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3118.40
LogP ≤ 5	37.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

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-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride?

The IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride (CID 163522198) is 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride.

What is the SMILES notation for 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride?

The canonical SMILES for 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride is CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(C)CCCl.CC(C)CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1.CC(C)CCOc1ccc(C2CCN(c3ccc(Br)cn3)CC2)cc1.CC(C)CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCC(C)C)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Cl.Fc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride?

The InChIKey is PPCOPJGKSYFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4O4S.C29H34N4O2.C21H25BN2O5S.C21H27BrN2O.C21H33NO3.C16H23NO3.C16H25NO.C5H3BrFN.C5H11Cl.ClH/c1-25(2)18-22-44-30-10-7-27(8-11-30)28-15-19-39(20-16-28)34-14-9-29(23-37-34)33-24-38(4)36(41)35-32(33)17-21-40(35)45(42,43)31-12-5-26(3)6-13-31;1-20(2)13-17-35-24-7-4-21(5-8-24)22-11-15-33(16-12-22)27-9-6-23(18-31-27)26-19-32(3)29(34)28-25(26)10-14-30-28;1-14-7-9-15(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;1-16(2)11-14-25-20-6-3-17(4-7-20)18-9-12-24(13-10-18)21-8-5-19(22)15-23-21;1-16(2)12-15-24-19-8-6-17(7-9-19)18-10-13-22(14-11-18)20(23)25-21(3,4)5;1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12;1-13(2)9-12-18-16-5-3-14(4-6-16)15-7-10-17-11-8-15;6-4-1-2-5(7)8-3-4;1-5(2)3-4-6;/h5-14,17,21,23-25,28H,15-16,18-20,22H2,1-4H3;4-10,14,18-20,22,30H,11-13,15-17H2,1-3H3;7-13H,1-6H3;3-8,15-16,18H,9-14H2,1-2H3;6-9,16,18H,10-15H2,1-5H3;4-7,13,18H,8-11H2,1-3H3;3-6,13,15,17H,7-12H2,1-2H3;1-3H;5H,3-4H2,1-2H3;1H.

What are the key properties of 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride?

5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride has a molecular weight of 3118.40 g/mol, XLogP of 37.32, 38 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;5-bromo-2-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]pyridine;tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-(3-methylbutoxy)phenyl]piperidine-1-carboxylate;1-chloro-3-methylbutane;4-[4-(3-methylbutoxy)phenyl]piperidine;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-[4-(3-methylbutoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one;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;hydrochloride is sourced from PubChem (CID 163522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).