(6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)

C120H103BBrF9N10O7P4Pd — CID 167650744

About (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)

(6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) (PubChem CID 167650744) has the molecular formula C120H103BBrF9N10O7P4Pd and a molecular weight of 2289.22 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)
• PubChem CID: 167650744
• Molecular Formula: C120H103BBrF9N10O7P4Pd
• Molecular Weight: 2289.22 g/mol
• Exact Mass: 2286.51
• IUPAC Name: (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)
• SMILES: CN1N=C(C(=O)Nc2ccc(Cc3cc(F)c(F)c(F)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Fc1cc(CBr)cc(F)c1F.Nc1ccc(B(O)O)cn1.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/C18H15F3N4O2.4C18H15P.C12H9F3N2.C7H4BrF3.C6H8N2O3.C5H7BN2O2.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;8-3-4-1-5(9)7(11)6(10)2-4;1-8-5(9)3-2-4(7-8)6(10)11;7-5-2-1-4(3-8-5)6(9)10;/h2,4,7-9H,3,5-6H2,1H3,(H,22,23,27);4*1-15H;1-2,4-6H,3H2,(H2,16,17);1-2H,3H2;2-3H2,1H3,(H,10,11);1-3,9-10H,(H2,7,8)
• InChIKey: QNOLOGWJZWAZQO-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 262.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.22
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

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 (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

The IUPAC name of (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) (CID 167650744) is (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane).

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

The canonical SMILES for (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) is CN1N=C(C(=O)Nc2ccc(Cc3cc(F)c(F)c(F)c3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Fc1cc(CBr)cc(F)c1F.Nc1ccc(B(O)O)cn1.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 (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane)?

The InChIKey is QNOLOGWJZWAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2.4C18H15P.C12H9F3N2.C7H4BrF3.C6H8N2O3.C5H7BN2O2.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;8-3-4-1-5(9)7(11)6(10)2-4;1-8-5(9)3-2-4(7-8)6(10)11;7-5-2-1-4(3-8-5)6(9)10;/h2,4,7-9H,3,5-6H2,1H3,(H,22,23,27);4*1-15H;1-2,4-6H,3H2,(H2,16,17);1-2H,3H2;2-3H2,1H3,(H,10,11);1-3,9-10H,(H2,7,8);.

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

(6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) has a molecular weight of 2289.22 g/mol, XLogP of 20.11, 21 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)boronic acid;5-(bromomethyl)-1,2,3-trifluorobenzene;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;1-methyl-6-oxo-N-[5-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide;palladium;5-[(3,4,5-trifluorophenyl)methyl]pyridin-2-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167650744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).