2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)

C86H82BBrCl2F6N2O2P2Pd — CID 161100605

IUPAC2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)
SMILESCC1(C)OB(c2cc(C3CCCCC3)c3ccccc3c2)OC1(C)C.Cl[Pd]Cl.FC(F)(F)c1ccnc(-c2cc(C3CCCCC3)c3ccccc3c2)c1.FC(F)(F)c1ccnc(Br)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H29BO2.C22H20F3N.2C18H15P.C6H3BrF3N.2ClH.Pd/c1-21(2)22(3,4)25-23(24-21)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16;23-22(24,25)18-10-11-26-21(14-18)17-12-16-8-4-5-9-19(16)20(13-17)15-6-2-1-3-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-3-4(1-2-11-5)6(8,9)10;;;/h8-9,12-16H,5-7,10-11H2,1-4H3;4-5,8-15H,1-3,6-7H2;2*1-15H;1-3H;2*1H;/q;;;;;;;+2/p-2
InChIKeyUIJFCTJHAZTANZ-UHFFFAOYSA-L
MW1619.59 g/mol
LogP23.28
Rot. Bonds10

About 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)

2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) (PubChem CID 161100605) has the molecular formula C86H82BBrCl2F6N2O2P2Pd and a molecular weight of 1619.59 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane).

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)
PubChem CID161100605
Molecular FormulaC86H82BBrCl2F6N2O2P2Pd
Molecular Weight1619.59 g/mol
Exact Mass1616.34
IUPAC Name2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)
SMILESCC1(C)OB(c2cc(C3CCCCC3)c3ccccc3c2)OC1(C)C.Cl[Pd]Cl.FC(F)(F)c1ccnc(-c2cc(C3CCCCC3)c3ccccc3c2)c1.FC(F)(F)c1ccnc(Br)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H29BO2.C22H20F3N.2C18H15P.C6H3BrF3N.2ClH.Pd/c1-21(2)22(3,4)25-23(24-21)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16;23-22(24,25)18-10-11-26-21(14-18)17-12-16-8-4-5-9-19(16)20(13-17)15-6-2-1-3-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-3-4(1-2-11-5)6(8,9)10;;;/h8-9,12-16H,5-7,10-11H2,1-4H3;4-5,8-15H,1-3,6-7H2;2*1-15H;1-3H;2*1H;/q;;;;;;;+2/p-2
InChIKeyUIJFCTJHAZTANZ-UHFFFAOYSA-L
XLogP23.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.59
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) with MolForge

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Related Compounds

5-(4-Fluorophenyl)-2-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methylpyridine
CID 141674046
4-Bromo-2-methylpyridine;carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;dichloropalladium;[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyridine;iron(2+)
CID 162274622
2-[4-[2-[3,5-Bis[4-fluoro-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-fluorophenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 141674086
2,5-Dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine;bis(triphenylphosphane)
CID 90966057
2-Pyridin-4-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]pyridine
CID 123255064
2-[3-Pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine
CID 123277900
2-[3-Pyridin-2-yl-5-[12-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]chrysen-6-yl]phenyl]pyridine
CID 123896412
2-Pyridin-4-yl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]pyridine
CID 140782498
2-[2,3-Diphenyl-4-pyridin-2-yl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 140815452
2-[3-Methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
CID 140838687
2-[4-[2-[3-[2-(4-Pyridin-2-ylphenyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
CID 140838893
2-[3-Phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
CID 141674118

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) (CID 161100605) is 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane).
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) is CC1(C)OB(c2cc(C3CCCCC3)c3ccccc3c2)OC1(C)C.Cl[Pd]Cl.FC(F)(F)c1ccnc(-c2cc(C3CCCCC3)c3ccccc3c2)c1.FC(F)(F)c1ccnc(Br)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)?
The InChIKey is UIJFCTJHAZTANZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H29BO2.C22H20F3N.2C18H15P.C6H3BrF3N.2ClH.Pd/c1-21(2)22(3,4)25-23(24-21)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16;23-22(24,25)18-10-11-26-21(14-18)17-12-16-8-4-5-9-19(16)20(13-17)15-6-2-1-3-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-3-4(1-2-11-5)6(8,9)10;;;/h8-9,12-16H,5-7,10-11H2,1-4H3;4-5,8-15H,1-3,6-7H2;2*1-15H;1-3H;2*1H;/q;;;;;;;+2/p-2.
What are the key properties of 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane)?
2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) has a molecular weight of 1619.59 g/mol, XLogP of 23.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-cyclohexylnaphthalen-2-yl)-4-(trifluoromethyl)pyridine;dichloropalladium;bis(triphenylphosphane) is sourced from PubChem (CID 161100605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).