potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide

C136H149BBr4FKN24O23S2 — CID 163825194

About potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163825194) has the molecular formula C136H149BBr4FKN24O23S2 and a molecular weight of 2940.49 g/mol. Its IUPAC name is potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

• Compound Name: potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide
• PubChem CID: 163825194
• Molecular Formula: C136H149BBr4FKN24O23S2
• Molecular Weight: 2940.49 g/mol
• Exact Mass: 2934.71
• IUPAC Name: potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide
• SMILES: C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3nc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3n2)cn1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(Br)cn1.C[C@H]1NCCN(C)C1=O.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)nc6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(B6OC(C)(C)C(C)(C)O6)ccc5n4)cn(C)c(=O)c32)cc1.Fc1ccc(Br)cn1.O=CCOc1ccc(Br)cn1.OCCO.OCCOc1ccc(Br)cn1.[K+].[OH-]
• InChI: InChI=1S/C37H36N6O5S.C30H30BN3O5S.C29H29N7O3.C13H18BrN3O2.C7H8BrNO2.C7H6BrNO2.C6H12N2O.C5H3BrFN.C2H6O2.K.H2O/c1-24-5-10-29(11-6-24)49(46,47)43-16-15-30-31(23-41(4)37(45)35(30)43)33-13-8-27-21-26(7-12-32(27)39-33)28-9-14-34(38-22-28)48-20-19-42-18-17-40(3)36(44)25(42)2;1-19-7-11-22(12-8-19)40(36,37)34-16-15-23-24(18-33(6)28(35)27(23)34)26-13-9-20-17-21(10-14-25(20)32-26)31-38-29(2,3)30(4,5)39-31;1-18-28(37)34(2)12-13-36(18)14-15-39-26-9-4-19(16-31-26)22-5-7-25-24(32-22)8-6-23(33-25)21-17-35(3)29(38)27-20(21)10-11-30-27;1-10-13(18)16(2)5-6-17(10)7-8-19-12-4-3-11(14)9-15-12;2*8-6-1-2-7(9-5-6)11-4-3-10;1-5-6(9)8(2)4-3-7-5;6-4-1-2-5(7)8-3-4;3-1-2-4;;/h5-16,21-23,25H,17-20H2,1-4H3;7-18H,1-6H3;4-11,16-18,30H,12-15H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;1-2,5,10H,3-4H2;1-3,5H,4H2;5,7H,3-4H2,1-2H3;1-3H;3-4H,1-2H2;;1H2/q;;;;;;;;;+1;/p-1/t25-;;18-;10-;;;5-;;;;/m1.11..1..../s1
• InChIKey: NYWHDLNKEIJKMI-GEUKVUKFSA-M
• XLogP: 13.42
• TPSA: 564.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2940.49
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The IUPAC name of potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163825194) is potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide.

What is the SMILES notation for potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The canonical SMILES for potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3nc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3n2)cn1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(Br)cn1.C[C@H]1NCCN(C)C1=O.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)nc6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(B6OC(C)(C)C(C)(C)O6)ccc5n4)cn(C)c(=O)c32)cc1.Fc1ccc(Br)cn1.O=CCOc1ccc(Br)cn1.OCCO.OCCOc1ccc(Br)cn1.[K+].[OH-].

What is the InChIKey of potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The InChIKey is NYWHDLNKEIJKMI-GEUKVUKFSA-M. The full InChI is InChI=1S/C37H36N6O5S.C30H30BN3O5S.C29H29N7O3.C13H18BrN3O2.C7H8BrNO2.C7H6BrNO2.C6H12N2O.C5H3BrFN.C2H6O2.K.H2O/c1-24-5-10-29(11-6-24)49(46,47)43-16-15-30-31(23-41(4)37(45)35(30)43)33-13-8-27-21-26(7-12-32(27)39-33)28-9-14-34(38-22-28)48-20-19-42-18-17-40(3)36(44)25(42)2;1-19-7-11-22(12-8-19)40(36,37)34-16-15-23-24(18-33(6)28(35)27(23)34)26-13-9-20-17-21(10-14-25(20)32-26)31-38-29(2,3)30(4,5)39-31;1-18-28(37)34(2)12-13-36(18)14-15-39-26-9-4-19(16-31-26)22-5-7-25-24(32-22)8-6-23(33-25)21-17-35(3)29(38)27-20(21)10-11-30-27;1-10-13(18)16(2)5-6-17(10)7-8-19-12-4-3-11(14)9-15-12;2*8-6-1-2-7(9-5-6)11-4-3-10;1-5-6(9)8(2)4-3-7-5;6-4-1-2-5(7)8-3-4;3-1-2-4;;/h5-16,21-23,25H,17-20H2,1-4H3;7-18H,1-6H3;4-11,16-18,30H,12-15H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;1-2,5,10H,3-4H2;1-3,5H,4H2;5,7H,3-4H2,1-2H3;1-3H;3-4H,1-2H2;;1H2/q;;;;;;;;;+1;/p-1/t25-;;18-;10-;;;5-;;;;/m1.11..1..../s1.

What are the key properties of potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 2940.49 g/mol, XLogP of 13.42, 29 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-2-fluoropyridine;2-[(5-bromo-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-2-pyridinyl)oxy]ethanol;(3R)-4-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]-1,5-naphthyridin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethylpiperazin-2-one;ethane-1,2-diol;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163825194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).