2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol

C160H166BBr2FIN37O23 — CID 157434184

About 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol

2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol (PubChem CID 157434184) has the molecular formula C160H166BBr2FIN37O23 and a molecular weight of 3291.85 g/mol. Its IUPAC name is 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol.

Molecular Properties

• Compound Name: 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol
• PubChem CID: 157434184
• Molecular Formula: C160H166BBr2FIN37O23
• Molecular Weight: 3291.85 g/mol
• Exact Mass: 3288.04
• IUPAC Name: 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol
• SMILES: Brc1cccc(OCc2ccc(-n3nccn3)cc2)n1.C.C.COC(=O)c1ccc(-n2ccnn2)cc1.COC(=O)c1ccc(-n2nccn2)cc1.COC(=O)c1ccc(-n2nccn2)cc1.COC(=O)c1ccc(I)cc1.COC(=O)c1ccc2nc(CN3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(-n6nccn6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cccc(Br)n1.O=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(-n6nccn6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(-n2nccn2)cc1.c1cn[nH]n1
• InChI: InChI=1S/C33H33N7O4.C32H31N7O4.C25H34BN3O5.C14H11BrN4O.3C10H9N3O2.C9H9N3O.C8H7IO2.C5H3BrFN.C2H3N3.2CH4/c1-42-33(41)25-7-10-29-30(19-25)39(20-27-13-18-43-27)31(36-29)21-38-16-11-24(12-17-38)28-3-2-4-32(37-28)44-22-23-5-8-26(9-6-23)40-34-14-15-35-40;40-32(41)24-6-9-28-29(18-24)38(19-26-12-17-42-26)30(35-28)20-37-15-10-23(11-16-37)27-2-1-3-31(36-27)43-21-22-4-7-25(8-5-22)39-33-13-14-34-39;1-24(2)25(3,4)34-26(33-24)18-8-11-28(12-9-18)16-22-27-20-7-6-17(23(30)31-5)14-21(20)29(22)15-19-10-13-32-19;15-13-2-1-3-14(18-13)20-10-11-4-6-12(7-5-11)19-16-8-9-17-19;1-15-10(14)8-2-4-9(5-3-8)13-7-6-11-12-13;2*1-15-10(14)8-2-4-9(5-3-8)13-11-6-7-12-13;13-7-8-1-3-9(4-2-8)12-10-5-6-11-12;1-11-8(10)6-2-4-7(9)5-3-6;6-4-2-1-3-5(7)8-4;1-2-4-5-3-1;;/h2-11,14-15,19,27H,12-13,16-18,20-22H2,1H3;1-10,13-14,18,26H,11-12,15-17,19-21H2,(H,40,41);6-8,14,19H,9-13,15-16H2,1-5H3;1-9H,10H2;3*2-7H,1H3;1-6,13H,7H2;2-5H,1H3;1-3H;1-2H,(H,3,4,5);2*1H4/t27-;26-;19-;;;;;;;;;;/m000........../s1
• InChIKey: BQWXNWOPQXJNKL-FHGRSBKWSA-N
• XLogP: 24.26
• TPSA: 660.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 58
• Rotatable Bonds: 39
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3291.85
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	58

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol?

The IUPAC name of 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol (CID 157434184) is 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol.

What is the SMILES notation for 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol?

The canonical SMILES for 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol is Brc1cccc(OCc2ccc(-n3nccn3)cc2)n1.C.C.COC(=O)c1ccc(-n2ccnn2)cc1.COC(=O)c1ccc(-n2nccn2)cc1.COC(=O)c1ccc(-n2nccn2)cc1.COC(=O)c1ccc(I)cc1.COC(=O)c1ccc2nc(CN3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(-n6nccn6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cccc(Br)n1.O=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(-n6nccn6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(-n2nccn2)cc1.c1cn[nH]n1.

What is the InChIKey of 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol?

The InChIKey is BQWXNWOPQXJNKL-FHGRSBKWSA-N. The full InChI is InChI=1S/C33H33N7O4.C32H31N7O4.C25H34BN3O5.C14H11BrN4O.3C10H9N3O2.C9H9N3O.C8H7IO2.C5H3BrFN.C2H3N3.2CH4/c1-42-33(41)25-7-10-29-30(19-25)39(20-27-13-18-43-27)31(36-29)21-38-16-11-24(12-17-38)28-3-2-4-32(37-28)44-22-23-5-8-26(9-6-23)40-34-14-15-35-40;40-32(41)24-6-9-28-29(18-24)38(19-26-12-17-42-26)30(35-28)20-37-15-10-23(11-16-37)27-2-1-3-31(36-27)43-21-22-4-7-25(8-5-22)39-33-13-14-34-39;1-24(2)25(3,4)34-26(33-24)18-8-11-28(12-9-18)16-22-27-20-7-6-17(23(30)31-5)14-21(20)29(22)15-19-10-13-32-19;15-13-2-1-3-14(18-13)20-10-11-4-6-12(7-5-11)19-16-8-9-17-19;1-15-10(14)8-2-4-9(5-3-8)13-7-6-11-12-13;2*1-15-10(14)8-2-4-9(5-3-8)13-11-6-7-12-13;13-7-8-1-3-9(4-2-8)12-10-5-6-11-12;1-11-8(10)6-2-4-7(9)5-3-6;6-4-2-1-3-5(7)8-4;1-2-4-5-3-1;;/h2-11,14-15,19,27H,12-13,16-18,20-22H2,1H3;1-10,13-14,18,26H,11-12,15-17,19-21H2,(H,40,41);6-8,14,19H,9-13,15-16H2,1-5H3;1-9H,10H2;3*2-7H,1H3;1-6,13H,7H2;2-5H,1H3;1-3H;1-2H,(H,3,4,5);2*1H4/t27-;26-;19-;;;;;;;;;;/m000........../s1.

What are the key properties of 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol?

2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol has a molecular weight of 3291.85 g/mol, XLogP of 24.26, 39 rotatable bonds, 3 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-fluoropyridine;2-bromo-6-[[4-(triazol-2-yl)phenyl]methoxy]pyridine;methane;methyl 4-iodobenzoate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;methyl 4-(triazol-1-yl)benzoate;bis(methyl 4-(triazol-2-yl)benzoate);3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[4-(triazol-2-yl)phenyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid;2H-triazole;[4-(triazol-2-yl)phenyl]methanol is sourced from PubChem (CID 157434184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).