2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C134H173B3BrF9N14O25S2 — CID 163772164

About 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 163772164) has the molecular formula C134H173B3BrF9N14O25S2 and a molecular weight of 2727.39 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

• Compound Name: 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• PubChem CID: 163772164
• Molecular Formula: C134H173B3BrF9N14O25S2
• Molecular Weight: 2727.39 g/mol
• Exact Mass: 2725.15
• IUPAC Name: 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1=CCN(C(=O)OC(C)(C)C)CC1(C)C.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3(C)C)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3(C)C)n2)c(F)c1
• InChI: InChI=1S/C33H32FN5O4.C25H28FN3O3.C18H32BNO4.C13H8BrFN2O.C13H23NO2.C12H24B2O4.C12H21NO3.C8H5F6NO4S2/c1-33(2)20-38(18-30-36-28-10-8-21(32(40)41)15-29(28)39(30)17-24-12-14-42-24)13-11-25(33)27-5-4-6-31(37-27)43-19-22-7-9-23(35-3)16-26(22)34;1-24(2,3)32-23(30)29-13-12-19(25(4,5)16-29)21-8-7-9-22(28-21)31-15-17-10-11-18(27-6)14-20(17)26;1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-10-7-8-14(9-13(10,5)6)11(15)16-12(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h4-11,15-16,24H,12-14,17-20H2,1-2H3,(H,40,41);7-12,14H,13,15-16H2,1-5H3;10H,11-12H2,1-9H3;2-7H,8H2;7H,8-9H2,1-6H3;1-8H3;6-8H2,1-5H3;1-5H/t24-;;;;;;;/m0......./s1
• InChIKey: MHJAVSMVSHABKQ-YKBQGXKTSA-N
• XLogP: 29.93
• TPSA: 409.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.39
LogP ≤ 5	29.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 163772164) is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

What is the SMILES notation for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The canonical SMILES for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1=CCN(C(=O)OC(C)(C)C)CC1(C)C.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3(C)C)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3(C)C)n2)c(F)c1.

What is the InChIKey of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The InChIKey is MHJAVSMVSHABKQ-YKBQGXKTSA-N. The full InChI is InChI=1S/C33H32FN5O4.C25H28FN3O3.C18H32BNO4.C13H8BrFN2O.C13H23NO2.C12H24B2O4.C12H21NO3.C8H5F6NO4S2/c1-33(2)20-38(18-30-36-28-10-8-21(32(40)41)15-29(28)39(30)17-24-12-14-42-24)13-11-25(33)27-5-4-6-31(37-27)43-19-22-7-9-23(35-3)16-26(22)34;1-24(2,3)32-23(30)29-13-12-19(25(4,5)16-29)21-8-7-9-22(28-21)31-15-17-10-11-18(27-6)14-20(17)26;1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-10-7-8-14(9-13(10,5)6)11(15)16-12(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h4-11,15-16,24H,12-14,17-20H2,1-2H3,(H,40,41);7-12,14H,13,15-16H2,1-5H3;10H,11-12H2,1-9H3;2-7H,8H2;7H,8-9H2,1-6H3;1-8H3;6-8H2,1-5H3;1-5H/t24-;;;;;;;/m0......./s1.

What are the key properties of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 2727.39 g/mol, XLogP of 29.93, 21 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 163772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).