benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine

C23H20N4O2Pd — CID 58174467

IUPACbenzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
SMILESC[N-]c1ccc([N+](=O)[O-])cc1-c1ccccn1.[Pd+2].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C12H10N3O2.C6H5.C5H5N.Pd/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12;2*1-2-4-6-5-3-1;/h2-8H,1H3;2*1-5H;/q2*-1;;+2
InChIKeyZWMLHTZTQRAKJK-UHFFFAOYSA-N
MW490.86 g/mol
LogP5.86
Rot. Bonds3

About benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine

benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine (PubChem CID 58174467) has the molecular formula C23H20N4O2Pd and a molecular weight of 490.86 g/mol. Its IUPAC name is benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine.

Molecular Properties

Compound Namebenzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
PubChem CID58174467
Molecular FormulaC23H20N4O2Pd
Molecular Weight490.86 g/mol
Exact Mass490.06
IUPAC Namebenzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
SMILESC[N-]c1ccc([N+](=O)[O-])cc1-c1ccccn1.[Pd+2].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C12H10N3O2.C6H5.C5H5N.Pd/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12;2*1-2-4-6-5-3-1;/h2-8H,1H3;2*1-5H;/q2*-1;;+2
InChIKeyZWMLHTZTQRAKJK-UHFFFAOYSA-N
XLogP5.86
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174475
4-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
N-methyl-4-nitro-2-pyridin-2-ylaniline
CID 58174468
benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
CID 58352556
(2R)-5-nitro-2-pyridin-2-ylindene-1,3-dione
CID 98115653
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
CID 58174456
5-nitro-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
CID 168986296
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
CID 58174390
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
acetic acid;N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide;palladium;pyridine
CID 44540791

Frequently Asked Questions

What is the IUPAC name of benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The IUPAC name of benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine (CID 58174467) is benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine.
What is the SMILES notation for benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The canonical SMILES for benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine is C[N-]c1ccc([N+](=O)[O-])cc1-c1ccccn1.[Pd+2].[c-]1ccccc1.c1ccncc1.
What is the InChIKey of benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The InChIKey is ZWMLHTZTQRAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3O2.C6H5.C5H5N.Pd/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12;2*1-2-4-6-5-3-1;/h2-8H,1H3;2*1-5H;/q2*-1;;+2.
What are the key properties of benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine has a molecular weight of 490.86 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine is sourced from PubChem (CID 58174467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).