5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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

C117H153BBr4FN19O19S2 — CID 163821828

About 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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

5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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 (PubChem CID 163821828) has the molecular formula C117H153BBr4FN19O19S2 and a molecular weight of 2543.18 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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
• PubChem CID: 163821828
• Molecular Formula: C117H153BBr4FN19O19S2
• Molecular Weight: 2543.18 g/mol
• Exact Mass: 2537.78
• IUPAC Name: 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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
• SMILES: Brc1ccc(N2CCC3(CCNCC3)C2)nc1.CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(Br)cn1)C2.CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCN(C(=O)CO)CC6)C5)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.Fc1ccc(Br)cn1.O=C(CO)N1CCC2(CC1)CCN(c1ccc(Br)cn1)C2.O=C(O)CO
• InChI: InChI=1S/C30H33N5O5S.C21H25BN2O5S.C18H26BrN3O2.C15H20BrN3O2.C13H18BrN3.C13H24N2O2.C5H3BrFN.C2H4O3/c1-21-3-6-23(7-4-21)41(39,40)35-13-9-24-25(18-32(2)29(38)28(24)35)22-5-8-26(31-17-22)34-16-12-30(20-34)10-14-33(15-11-30)27(37)19-36;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;1-17(2,3)24-16(23)21-9-6-18(7-10-21)8-11-22(13-18)15-5-4-14(19)12-20-15;16-12-1-2-13(17-9-12)19-8-5-15(11-19)3-6-18(7-4-15)14(21)10-20;14-11-1-2-12(16-9-11)17-8-5-13(10-17)3-6-15-7-4-13;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;6-4-1-2-5(7)8-3-4;3-1-2(4)5/h3-9,13,17-18,36H,10-12,14-16,19-20H2,1-2H3;7-13H,1-6H3;4-5,12H,6-11,13H2,1-3H3;1-2,9,20H,3-8,10-11H2;1-2,9,15H,3-8,10H2;14H,4-10H2,1-3H3;1-3H;3H,1H2,(H,4,5)
• InChIKey: NWBQPNJUECYKBE-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 439.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2543.18
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'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;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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?

The IUPAC name of 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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 (CID 163821828) is 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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.

What is the SMILES notation for 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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?

The canonical SMILES for 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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 is Brc1ccc(N2CCC3(CCNCC3)C2)nc1.CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(Br)cn1)C2.CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCN(C(=O)CO)CC6)C5)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.Fc1ccc(Br)cn1.O=C(CO)N1CCC2(CC1)CCN(c1ccc(Br)cn1)C2.O=C(O)CO.

What is the InChIKey of 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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?

The InChIKey is NWBQPNJUECYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5S.C21H25BN2O5S.C18H26BrN3O2.C15H20BrN3O2.C13H18BrN3.C13H24N2O2.C5H3BrFN.C2H4O3/c1-21-3-6-23(7-4-21)41(39,40)35-13-9-24-25(18-32(2)29(38)28(24)35)22-5-8-26(31-17-22)34-16-12-30(20-34)10-14-33(15-11-30)27(37)19-36;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;1-17(2,3)24-16(23)21-9-6-18(7-10-21)8-11-22(13-18)15-5-4-14(19)12-20-15;16-12-1-2-13(17-9-12)19-8-5-15(11-19)3-6-18(7-4-15)14(21)10-20;14-11-1-2-12(16-9-11)17-8-5-13(10-17)3-6-15-7-4-13;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;6-4-1-2-5(7)8-3-4;3-1-2(4)5/h3-9,13,17-18,36H,10-12,14-16,19-20H2,1-2H3;7-13H,1-6H3;4-5,12H,6-11,13H2,1-3H3;1-2,9,20H,3-8,10-11H2;1-2,9,15H,3-8,10H2;14H,4-10H2,1-3H3;1-3H;3H,1H2,(H,4,5).

What are the key properties of 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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?

5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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 has a molecular weight of 2543.18 g/mol, XLogP of 16.14, 13 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[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 is sourced from PubChem (CID 163821828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).