5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)

C126H109BBrF9N10O7P4Pd — CID 167555301

About 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)

5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) (PubChem CID 167555301) has the molecular formula C126H109BBrF9N10O7P4Pd and a molecular weight of 2367.33 g/mol. Its IUPAC name is 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)
• PubChem CID: 167555301
• Molecular Formula: C126H109BBrF9N10O7P4Pd
• Molecular Weight: 2367.33 g/mol
• Exact Mass: 2364.56
• IUPAC Name: 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cn1nc(C(=O)Nc2ccc(Cc3cc(F)c(F)c(F)c3)cn2)ccc1=O.Cn1nc(C(=O)O)ccc1=O.Fc1cc(CBr)cc(F)c1F.Nc1ccc(Cc2cc(F)c(F)c(F)c2)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H13F3N4O2.4C18H15P.C12H9F3N2.C11H17BN2O2.C7H4BrF3.C6H6N2O3.Pd/c1-25-16(26)5-3-14(24-25)18(27)23-15-4-2-10(9-22-15)6-11-7-12(19)17(21)13(20)8-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9-4-8(5-10(14)12(9)15)3-7-1-2-11(16)17-6-7;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;8-3-4-1-5(9)7(11)6(10)2-4;1-8-5(9)3-2-4(7-8)6(10)11;/h2-5,7-9H,6H2,1H3,(H,22,23,27);4*1-15H;1-2,4-6H,3H2,(H2,16,17);5-7H,1-4H3,(H2,13,14);1-2H,3H2;2-3H,1H3,(H,10,11)
• InChIKey: CXZAPTOXCIZIAW-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 245.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.33
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

The IUPAC name of 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) (CID 167555301) is 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane).

What is the SMILES notation for 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

The canonical SMILES for 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cn1nc(C(=O)Nc2ccc(Cc3cc(F)c(F)c(F)c3)cn2)ccc1=O.Cn1nc(C(=O)O)ccc1=O.Fc1cc(CBr)cc(F)c1F.Nc1ccc(Cc2cc(F)c(F)c(F)c2)cn1.[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-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

The InChIKey is CXZAPTOXCIZIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2.4C18H15P.C12H9F3N2.C11H17BN2O2.C7H4BrF3.C6H6N2O3.Pd/c1-25-16(26)5-3-14(24-25)18(27)23-15-4-2-10(9-22-15)6-11-7-12(19)17(21)13(20)8-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9-4-8(5-10(14)12(9)15)3-7-1-2-11(16)17-6-7;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;8-3-4-1-5(9)7(11)6(10)2-4;1-8-5(9)3-2-4(7-8)6(10)11;/h2-5,7-9H,6H2,1H3,(H,22,23,27);4*1-15H;1-2,4-6H,3H2,(H2,16,17);5-7H,1-4H3,(H2,13,14);1-2H,3H2;2-3H,1H3,(H,10,11);.

What are the key properties of 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) has a molecular weight of 2367.33 g/mol, XLogP of 22.32, 21 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxopyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]pyridazine-3-carboxamide;palladium;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167555301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).