4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)

C51H47Cl3F2N2O2P2PdSi+2 — CID 90410575

IUPAC4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)
SMILESC[Si](C)(C)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.Cl[Pd]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H15ClF2N2O2Si.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23(2,3)9-5-4-7(6-8(9)17)13-11(18)12(19)10(16)14(20-13)15(21)22;;;/h2*1-15H;4-6H,1-3H3,(H2,19,20)(H,21,22);2*1H;/q;;;;;+2
InChIKeyWTYOJCRPDVZNOS-UHFFFAOYSA-N
MW1060.76 g/mol
LogP11.24
Rot. Bonds9

About 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)

4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium) (PubChem CID 90410575) has the molecular formula C51H47Cl3F2N2O2P2PdSi+2 and a molecular weight of 1060.76 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium).

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)
PubChem CID90410575
Molecular FormulaC51H47Cl3F2N2O2P2PdSi+2
Molecular Weight1060.76 g/mol
Exact Mass1058.09
IUPAC Name4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)
SMILESC[Si](C)(C)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.Cl[Pd]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H15ClF2N2O2Si.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23(2,3)9-5-4-7(6-8(9)17)13-11(18)12(19)10(16)14(20-13)15(21)22;;;/h2*1-15H;4-6H,1-3H3,(H2,19,20)(H,21,22);2*1H;/q;;;;;+2
InChIKeyWTYOJCRPDVZNOS-UHFFFAOYSA-N
XLogP11.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.76
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium) (CID 90410575) is 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium).
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium) is C[Si](C)(C)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.Cl[Pd]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)?
The InChIKey is WTYOJCRPDVZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C15H15ClF2N2O2Si.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23(2,3)9-5-4-7(6-8(9)17)13-11(18)12(19)10(16)14(20-13)15(21)22;;;/h2*1-15H;4-6H,1-3H3,(H2,19,20)(H,21,22);2*1H;/q;;;;;+2.
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)?
4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium) has a molecular weight of 1060.76 g/mol, XLogP of 11.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium) is sourced from PubChem (CID 90410575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).