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+)

C63H68BBrCl2F8FeN2O2P2Pd — CID 162274622

IUPAC4-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+)
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1.Cc1cc(Br)ccn1.Cl[Pd]Cl.OB(O)c1ccc(F)c(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.C13H9F4N.C7H5BF4O2.C6H6BrN.3CH3.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-8-6-10(4-5-18-8)9-2-3-12(14)11(7-9)13(15,16)17;9-6-2-1-4(8(13)14)3-5(6)7(10,11)12;1-5-4-6(7)2-3-8-5;;;;;;;/h2*1-6,9-12,17H,7-8,13-14H2;2-7H,1H3;1-3,13-14H;2-4H,1H3;3*1H3;2*1H;;/q;;;;;3*-1;;;2*+2/p-1
InChIKeyPGMZTHBFSSPSFJ-UHFFFAOYSA-M
MW1423.07 g/mol
LogP17.47
Rot. Bonds8

About 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+)

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+) (PubChem CID 162274622) has the molecular formula C63H68BBrCl2F8FeN2O2P2Pd and a molecular weight of 1423.07 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name4-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+)
PubChem CID162274622
Molecular FormulaC63H68BBrCl2F8FeN2O2P2Pd
Molecular Weight1423.07 g/mol
Exact Mass1420.17
IUPAC Name4-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+)
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1.Cc1cc(Br)ccn1.Cl[Pd]Cl.OB(O)c1ccc(F)c(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.C13H9F4N.C7H5BF4O2.C6H6BrN.3CH3.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-8-6-10(4-5-18-8)9-2-3-12(14)11(7-9)13(15,16)17;9-6-2-1-4(8(13)14)3-5(6)7(10,11)12;1-5-4-6(7)2-3-8-5;;;;;;;/h2*1-6,9-12,17H,7-8,13-14H2;2-7H,1H3;1-3,13-14H;2-4H,1H3;3*1H3;2*1H;;/q;;;;;3*-1;;;2*+2/p-1
InChIKeyPGMZTHBFSSPSFJ-UHFFFAOYSA-M
XLogP17.47
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.07
LogP ≤ 517.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

5-Bromo-2-methylpyridine;methane;2-methyl-5-[3-(trifluoromethyl)phenyl]pyridine;[3-(trifluoromethyl)phenyl]boronic acid
CID 159639875
5-Bromo-2-methylpyridine;2-methyl-5-[3-(trifluoromethyl)phenyl]pyridine;[3-(trifluoromethyl)phenyl]boronic acid
CID 159767713
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
2-(3-Bromophenyl)-3,4-dimethylpyridine;(3,5-dimethylphenyl)boronic acid;2-[3-(3,5-dimethylphenyl)phenyl]-3,4-dimethylpyridine
CID 157063490
1-Bromo-2,4-difluorobenzene;2-bromopyridine;2-(2,4-difluorophenyl)pyridine;palladium;tetrakis(triphenylphosphane);tritium monohydride;hydrofluoride
CID 157241951
2-Bromo-3-chloropyridine;3-chloro-2-(4-fluoro-3-methylphenyl)pyridine;(4-fluoro-3-methylphenyl)boronic acid;methane;palladium;tetrakis(triphenylphosphane)
CID 157422828
3-Bromo-2-chloropyridine;2-chloro-3-(4-fluorophenyl)pyridine;(4-fluorophenyl)boronic acid;palladium;tetrakis(triphenylphosphane)
CID 157608706
5-Bromo-4-methyl-2-(3-phenylphenyl)pyridine;2,5-dibromo-3-methylpyridine;methane;(3-phenylphenyl)boronic acid
CID 157611147
2-(3-Bromophenyl)-5-methylpyridine;(2,4-difluorophenyl)boronic acid;2-[3-(2,4-difluorophenyl)phenyl]-5-methylpyridine
CID 158178789
(3-Bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
CID 158226812
2-(3-Bromophenyl)pyridine;(3,5-dimethylphenyl)boronic acid;2-[3-(3,5-dimethylphenyl)phenyl]pyridine
CID 158744925
2-(3-Bromophenyl)-5-methylpyridine;(4-fluorophenyl)boronic acid;2-[3-(4-fluorophenyl)phenyl]-5-methylpyridine
CID 158800539

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1.Cc1cc(Br)ccn1.Cl[Pd]Cl.OB(O)c1ccc(F)c(C(F)(F)F)c1.[CH3-].[CH3-].[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of 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+)?
The InChIKey is PGMZTHBFSSPSFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C17H19P.C13H9F4N.C7H5BF4O2.C6H6BrN.3CH3.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-8-6-10(4-5-18-8)9-2-3-12(14)11(7-9)13(15,16)17;9-6-2-1-4(8(13)14)3-5(6)7(10,11)12;1-5-4-6(7)2-3-8-5;;;;;;;/h2*1-6,9-12,17H,7-8,13-14H2;2-7H,1H3;1-3,13-14H;2-4H,1H3;3*1H3;2*1H;;/q;;;;;3*-1;;;2*+2/p-1.
What are the key properties of 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+)?
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+) has a molecular weight of 1423.07 g/mol, XLogP of 17.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 162274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).