5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride

C116H173BBr2Cl2FN19O8 — CID 163496007

About 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride

5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride (PubChem CID 163496007) has the molecular formula C116H173BBr2Cl2FN19O8 and a molecular weight of 2222.31 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride
• PubChem CID: 163496007
• Molecular Formula: C116H173BBr2Cl2FN19O8
• Molecular Weight: 2222.31 g/mol
• Exact Mass: 2218.15
• IUPAC Name: 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC2CCc1ccc(Br)cn1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CN.Cc1nn(C)cc1-c1ccc(CCC2CC23CCN(C(=O)OC(C)(C)C)CC3)nc1.Cc1nn(C)cc1-c1ccc(CCC2CC23CCN(CCC(C)(C)C)CC3)nc1.Cc1nn(C)cc1-c1ccc(CCC2CC23CCNCC3)nc1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cl.Cl.Fc1ccc(Br)cn1
• InChI: InChI=1S/C25H38N4.C24H34N4O2.C19H27BrN2O2.C19H26N4.C13H24N2O2.C11H19BN2O2.C5H3BrFN.2ClH/c1-19-23(18-28(5)27-19)20-6-8-22(26-17-20)9-7-21-16-25(21)11-14-29(15-12-25)13-10-24(2,3)4;1-17-21(16-27(5)26-17)18-6-8-20(25-15-18)9-7-19-14-24(19)10-12-28(13-11-24)22(29)30-23(2,3)4;1-18(2,3)24-17(23)22-10-8-19(9-11-22)12-14(19)4-6-16-7-5-15(20)13-21-16;1-14-18(13-23(2)22-14)15-3-5-17(21-12-15)6-4-16-11-19(16)7-9-20-10-8-19;1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;6-4-1-2-5(7)8-3-4;;/h6,8,17-18,21H,7,9-16H2,1-5H3;6,8,15-16,19H,7,9-14H2,1-5H3;5,7,13-14H,4,6,8-12H2,1-3H3;3,5,12-13,16,20H,4,6-11H2,1-2H3;10H,4-9,14H2,1-3H3;7H,1-6H3;1-3H;2*1H
• InChIKey: GLENHOINRVEVOG-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 284.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.31
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride?

The IUPAC name of 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride (CID 163496007) is 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride.

What is the SMILES notation for 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride?

The canonical SMILES for 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)CC2CCc1ccc(Br)cn1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CN.Cc1nn(C)cc1-c1ccc(CCC2CC23CCN(C(=O)OC(C)(C)C)CC3)nc1.Cc1nn(C)cc1-c1ccc(CCC2CC23CCN(CCC(C)(C)C)CC3)nc1.Cc1nn(C)cc1-c1ccc(CCC2CC23CCNCC3)nc1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cl.Cl.Fc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride?

The InChIKey is GLENHOINRVEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4.C24H34N4O2.C19H27BrN2O2.C19H26N4.C13H24N2O2.C11H19BN2O2.C5H3BrFN.2ClH/c1-19-23(18-28(5)27-19)20-6-8-22(26-17-20)9-7-21-16-25(21)11-14-29(15-12-25)13-10-24(2,3)4;1-17-21(16-27(5)26-17)18-6-8-20(25-15-18)9-7-19-14-24(19)10-12-28(13-11-24)22(29)30-23(2,3)4;1-18(2,3)24-17(23)22-10-8-19(9-11-22)12-14(19)4-6-16-7-5-15(20)13-21-16;1-14-18(13-23(2)22-14)15-3-5-17(21-12-15)6-4-16-11-19(16)7-9-20-10-8-19;1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;6-4-1-2-5(7)8-3-4;;/h6,8,17-18,21H,7,9-16H2,1-5H3;6,8,15-16,19H,7,9-14H2,1-5H3;5,7,13-14H,4,6,8-12H2,1-3H3;3,5,12-13,16,20H,4,6-11H2,1-2H3;10H,4-9,14H2,1-3H3;7H,1-6H3;1-3H;2*1H.

What are the key properties of 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride?

5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride has a molecular weight of 2222.31 g/mol, XLogP of 23.79, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-(5-bromo-2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane-6-carboxylate;6-(3,3-dimethylbutyl)-2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;dihydrochloride is sourced from PubChem (CID 163496007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).