lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate

C240H235B2BrCl8F5LiN19O15P7Pd2 — CID 159248910

About lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate

lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate (PubChem CID 159248910) has the molecular formula C240H235B2BrCl8F5LiN19O15P7Pd2 and a molecular weight of 4542.38 g/mol. Its IUPAC name is lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate
• PubChem CID: 159248910
• Molecular Formula: C240H235B2BrCl8F5LiN19O15P7Pd2
• Molecular Weight: 4542.38 g/mol
• Exact Mass: 4534.14
• IUPAC Name: lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate
• SMILES: CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCN(C(C)C)C(C)C.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)NCc1ccccn1.CCOC(=O)c1ncc2ccccn12.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(B(O)O)ccc1F.Cc1cccnc1Cl.Cl[Pd]Cl.NCc1ccccn1.O.O=P(Cl)(Cl)Cl.[C-]#[N+]c1ccc(Br)cn1.[C-]#[N+]c1ccccn1.[C-]#[N+]c1ccccn1.[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/6C18H15P.4C13H12FN.C11H15BClNO2.C10H12N2O3.C10H10N2O2.C8H19N.C7H8BFO2.C6H3BrN2.C6H6ClN.2C6H4N2.C6H8N2.C4H5ClO3.Cl3OP.2ClH.Li.2H2O.2Pd/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-10(14)9(13)12-7-8-5-3-4-6-11-8;1-2-14-10(13)9-11-7-8-5-3-4-6-12(8)9;1-6-9(7(2)3)8(4)5;1-5-4-6(8(10)11)2-3-7(5)9;1-8-6-3-2-5(7)4-9-6;1-5-3-2-4-8-6(5)7;2*1-7-6-4-2-3-5-8-6;7-5-6-3-1-2-4-8-6;1-2-8-4(7)3(5)6;1-5(2,3)4;;;;;;;/h6*1-15H;4*3-8H,1-2H3;5-7H,1-4H3;3-6H,2,7H2,1H3,(H,12,13);3-7H,2H2,1H3;7-8H,6H2,1-5H3;2-4,10-11H,1H3;2-4H;2-4H,1H3;2*2-5H;1-4H,5,7H2;2H2,1H3;;2*1H;;2*1H2;;/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;+2/p-3
• InChIKey: WQAARLIIRTWWSC-UHFFFAOYSA-K
• XLogP: 49.18
• TPSA: 463.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4542.38
LogP ≤ 5	49.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate?

The IUPAC name of lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate (CID 159248910) is lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate.

What is the SMILES notation for lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate?

The canonical SMILES for lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate is CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCN(C(C)C)C(C)C.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)NCc1ccccn1.CCOC(=O)c1ncc2ccccn12.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(-c2ncccc2C)ccc1F.Cc1cc(B(O)O)ccc1F.Cc1cccnc1Cl.Cl[Pd]Cl.NCc1ccccn1.O.O=P(Cl)(Cl)Cl.[C-]#[N+]c1ccc(Br)cn1.[C-]#[N+]c1ccccn1.[C-]#[N+]c1ccccn1.[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate?

The InChIKey is WQAARLIIRTWWSC-UHFFFAOYSA-K. The full InChI is InChI=1S/6C18H15P.4C13H12FN.C11H15BClNO2.C10H12N2O3.C10H10N2O2.C8H19N.C7H8BFO2.C6H3BrN2.C6H6ClN.2C6H4N2.C6H8N2.C4H5ClO3.Cl3OP.2ClH.Li.2H2O.2Pd/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-10(14)9(13)12-7-8-5-3-4-6-11-8;1-2-14-10(13)9-11-7-8-5-3-4-6-12(8)9;1-6-9(7(2)3)8(4)5;1-5-4-6(8(10)11)2-3-7(5)9;1-8-6-3-2-5(7)4-9-6;1-5-3-2-4-8-6(5)7;2*1-7-6-4-2-3-5-8-6;7-5-6-3-1-2-4-8-6;1-2-8-4(7)3(5)6;1-5(2,3)4;;;;;;;/h6*1-15H;4*3-8H,1-2H3;5-7H,1-4H3;3-6H,2,7H2,1H3,(H,12,13);3-7H,2H2,1H3;7-8H,6H2,1-5H3;2-4,10-11H,1H3;2-4H;2-4H,1H3;2*2-5H;1-4H,5,7H2;2H2,1H3;;2*1H;;2*1H2;;/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;+2/p-3.

What are the key properties of lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate?

lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate has a molecular weight of 4542.38 g/mol, XLogP of 49.18, 35 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-2-isocyanopyridine;2-chloro-3-methylpyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 2-chloro-2-oxoacetate;ethyl imidazo[1,5-a]pyridine-3-carboxylate;ethyl 2-oxo-2-(pyridin-2-ylmethylamino)acetate;N-ethyl-N-propan-2-ylpropan-2-amine;(4-fluoro-3-methylphenyl)boronic acid;tetrakis(2-(4-fluoro-3-methylphenyl)-3-methylpyridine);bis(2-isocyanopyridine);palladium;phosphoryl trichloride;pyridin-2-ylmethanamine;hexakis(triphenylphosphane);hydroxide;hydrate is sourced from PubChem (CID 159248910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).