5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

C159H168BBr2ClF8N30O17 — CID 167652600

About 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (PubChem CID 167652600) has the molecular formula C159H168BBr2ClF8N30O17 and a molecular weight of 3129.34 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• PubChem CID: 167652600
• Molecular Formula: C159H168BBr2ClF8N30O17
• Molecular Weight: 3129.34 g/mol
• Exact Mass: 3125.12
• IUPAC Name: 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• SMILES: CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.COC(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4c3)cc2C)CC1)OC.COC(CC1CCN(c2ncc(Br)cc2C#N)CC1)OC.COC(CC1CCNCC1)OC.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CCC(CC=O)CC1.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CCC(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.N#Cc1cc(Br)cnc1Cl.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H39F2N9O4.C27H30F2N4O2.C25H21F2N5O.C18H19BF2N2O2.C17H18N4O4.C15H20BrN3O2.C9H19NO2.C6H2BrClN2/c43-42(44)52-34-7-11-46-24-33(34)30-3-1-26(20-36(30)52)28-19-27(22-45)38(47-23-28)51-13-9-25(10-14-51)8-12-49-15-17-50(18-16-49)29-2-4-31-32(21-29)41(57)53(40(31)56)35-5-6-37(54)48-39(35)55;1-17-12-20(15-31-26(17)32-10-7-18(8-11-32)13-25(34-2)35-3)19-4-5-21-22-16-30-9-6-23(22)33(27(28)29)24(21)14-19;26-25(27)32-22-3-7-29-15-21(22)20-2-1-17(12-23(20)32)19-11-18(13-28)24(30-14-19)31-8-4-16(5-9-31)6-10-33;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-20-14(21-2)7-11-3-5-19(6-4-11)15-12(9-17)8-13(16)10-18-15;1-11-9(12-2)7-8-3-5-10-6-4-8;7-5-1-4(2-9)6(8)10-3-5/h1-4,7,11,19-21,23-25,35,42H,5-6,8-10,12-18H2,(H,48,54,55);4-6,9,12,14-16,18,25,27H,7-8,10-11,13H2,1-3H3;1-3,7,10-12,14-16,25H,4-6,8-9H2;5-10,16H,1-4H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8,10-11,14H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;1,3H
• InChIKey: QUDXBIPYYDELSC-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 535.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3129.34
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The IUPAC name of 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (CID 167652600) is 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

What is the SMILES notation for 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The canonical SMILES for 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.COC(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4c3)cc2C)CC1)OC.COC(CC1CCN(c2ncc(Br)cc2C#N)CC1)OC.COC(CC1CCNCC1)OC.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CCC(CC=O)CC1.N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CCC(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.N#Cc1cc(Br)cnc1Cl.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The InChIKey is QUDXBIPYYDELSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39F2N9O4.C27H30F2N4O2.C25H21F2N5O.C18H19BF2N2O2.C17H18N4O4.C15H20BrN3O2.C9H19NO2.C6H2BrClN2/c43-42(44)52-34-7-11-46-24-33(34)30-3-1-26(20-36(30)52)28-19-27(22-45)38(47-23-28)51-13-9-25(10-14-51)8-12-49-15-17-50(18-16-49)29-2-4-31-32(21-29)41(57)53(40(31)56)35-5-6-37(54)48-39(35)55;1-17-12-20(15-31-26(17)32-10-7-18(8-11-32)13-25(34-2)35-3)19-4-5-21-22-16-30-9-6-23(22)33(27(28)29)24(21)14-19;26-25(27)32-22-3-7-29-15-21(22)20-2-1-17(12-23(20)32)19-11-18(13-28)24(30-14-19)31-8-4-16(5-9-31)6-10-33;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-20-14(21-2)7-11-3-5-19(6-4-11)15-12(9-17)8-13(16)10-18-15;1-11-9(12-2)7-8-3-5-10-6-4-8;7-5-1-4(2-9)6(8)10-3-5/h1-4,7,11,19-21,23-25,35,42H,5-6,8-10,12-18H2,(H,48,54,55);4-6,9,12,14-16,18,25,27H,7-8,10-11,13H2,1-3H3;1-3,7,10-12,14-16,25H,4-6,8-9H2;5-10,16H,1-4H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8,10-11,14H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;1,3H.

What are the key properties of 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione has a molecular weight of 3129.34 g/mol, XLogP of 26.54, 33 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyridine-3-carbonitrile;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-(2-oxoethyl)piperidin-1-yl]pyridine-3-carbonitrile;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;4-(2,2-dimethoxyethyl)piperidine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 167652600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).