2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium

C45H33BrF10N4Pd — CID 158215722

IUPAC2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
SMILESCc1ccc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1.[Pd]
InChIInChI=1S/C22H15F5N2.C16H12BrF2N.C7H6F3N.Pd/c23-16-2-1-3-17(24)21(16)19-10-9-18(29-19)14-6-4-13(5-7-14)15-8-11-20(28-12-15)22(25,26)27;17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19;1-5-2-3-6(11-4-5)7(8,9)10;/h1-8,11-12,18H,9-10H2;1-7,14H,8-9H2;2-4H,1H3;
InChIKeyGCPSSPWDSDCVOH-UHFFFAOYSA-N
MW1006.09 g/mol
LogP13.83
Rot. Bonds5

About 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium

2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium (PubChem CID 158215722) has the molecular formula C45H33BrF10N4Pd and a molecular weight of 1006.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
PubChem CID158215722
Molecular FormulaC45H33BrF10N4Pd
Molecular Weight1006.09 g/mol
Exact Mass1004.08
IUPAC Name2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
SMILESCc1ccc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1.[Pd]
InChIInChI=1S/C22H15F5N2.C16H12BrF2N.C7H6F3N.Pd/c23-16-2-1-3-17(24)21(16)19-10-9-18(29-19)14-6-4-13(5-7-14)15-8-11-20(28-12-15)22(25,26)27;17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19;1-5-2-3-6(11-4-5)7(8,9)10;/h1-8,11-12,18H,9-10H2;1-7,14H,8-9H2;2-4H,1H3;
InChIKeyGCPSSPWDSDCVOH-UHFFFAOYSA-N
XLogP13.83
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.09
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium with MolForge

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Related Compounds

2-(4-Bromophenyl)-5-(4-pentylphenyl)pyridine
CID 3126211
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CID 73891082
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-Bromo-2'-(5-fluoropyridin-2-yl)-4'-(trimethylsilyl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908956
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
4,6-Bis(4-bromophenyl)-2,2'-bipyridine
CID 68594727
2-[2-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 58401657
5-bromo-2-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridine
CID 58804297
2-bromo-5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridine
CID 58804313
2-[2-[2-Methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 58939584
3-[2-(Trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]pyridin-2-yl]phenyl]phenyl]pyridine
CID 58947587
2-[3-[2,5-Diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
CID 59609340

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?
The IUPAC name of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium (CID 158215722) is 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?
The canonical SMILES for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium is Cc1ccc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1.[Pd].
What is the InChIKey of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?
The InChIKey is GCPSSPWDSDCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2.C16H12BrF2N.C7H6F3N.Pd/c23-16-2-1-3-17(24)21(16)19-10-9-18(29-19)14-6-4-13(5-7-14)15-8-11-20(28-12-15)22(25,26)27;17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19;1-5-2-3-6(11-4-5)7(8,9)10;/h1-8,11-12,18H,9-10H2;1-7,14H,8-9H2;2-4H,1H3;.
What are the key properties of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?
2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium has a molecular weight of 1006.09 g/mol, XLogP of 13.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium is sourced from PubChem (CID 158215722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).