5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide

C155H137B3Br3ClCuF7N14O8P4Pd — CID 159188341

About 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide

5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide (PubChem CID 159188341) has the molecular formula C155H137B3Br3ClCuF7N14O8P4Pd and a molecular weight of 3059.35 g/mol. Its IUPAC name is 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide.

Molecular Properties

• Compound Name: 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide
• PubChem CID: 159188341
• Molecular Formula: C155H137B3Br3ClCuF7N14O8P4Pd
• Molecular Weight: 3059.35 g/mol
• Exact Mass: 3053.55
• IUPAC Name: 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C#N.Cc1cc(Br)cnc1Br.Cc1cc(Br)cnc1C#N.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[2H]CF.[C-]#N.[C-]#[N+]c1ncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cc1C.[Cu+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H14F3N5O.C18H9ClF3N3O.4C18H15P.C13H17BN2O2.C12H24B2O4.C7H5BrN2.C6H5Br2N.CH3F.CN.Cu.Pd/c1-14-10-16(13-31-24(14)29-2)19-7-8-20-22(32-19)23-15(12-30-20)6-9-21(34)33(23)18-5-3-4-17(11-18)25(26,27)28;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-6-10(8-16-11(9)7-15)14-17-12(2,3)13(4,5)18-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-2-6(8)4-10-7(5)3-9;1-4-2-5(7)3-9-6(4)8;2*1-2;;/h3-13H,1H3;1-9H;4*1-15H;6,8H,1-5H3;1-8H3;2,4H,1H3;2-3H,1H3;1H3;;;/q;;;;;;;;;;;-1;+1;/i;;;;;;;;;;1D
• InChIKey: JCCAAZIWIQUVHC-KTKLTATFSA-N
• XLogP: 33.69
• TPSA: 278.23 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3059.35
LogP ≤ 5	33.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide?

The IUPAC name of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide (CID 159188341) is 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide.

What is the SMILES notation for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide?

The canonical SMILES for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C#N.Cc1cc(Br)cnc1Br.Cc1cc(Br)cnc1C#N.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[2H]CF.[C-]#N.[C-]#[N+]c1ncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cc1C.[Cu+].[Pd].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 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide?

The InChIKey is JCCAAZIWIQUVHC-KTKLTATFSA-N. The full InChI is InChI=1S/C25H14F3N5O.C18H9ClF3N3O.4C18H15P.C13H17BN2O2.C12H24B2O4.C7H5BrN2.C6H5Br2N.CH3F.CN.Cu.Pd/c1-14-10-16(13-31-24(14)29-2)19-7-8-20-22(32-19)23-15(12-30-20)6-9-21(34)33(23)18-5-3-4-17(11-18)25(26,27)28;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-6-10(8-16-11(9)7-15)14-17-12(2,3)13(4,5)18-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-2-6(8)4-10-7(5)3-9;1-4-2-5(7)3-9-6(4)8;2*1-2;;/h3-13H,1H3;1-9H;4*1-15H;6,8H,1-5H3;1-8H3;2,4H,1H3;2-3H,1H3;1H3;;;/q;;;;;;;;;;;-1;+1;/i;;;;;;;;;;1D;;;.

What are the key properties of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide?

5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide has a molecular weight of 3059.35 g/mol, XLogP of 33.69, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;copper(1+);deuterio(fluoro)methane;2,5-dibromo-3-methylpyridine;2-(6-isocyano-5-methyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);cyanide is sourced from PubChem (CID 159188341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).