dichloropalladium;5-nitro-1,10-phenanthroline

C12H7Cl2N3O2Pd — CID 5030888

IUPACdichloropalladium;5-nitro-1,10-phenanthroline
SMILESCl[Pd]Cl.O=[N+]([O-])c1cc2cccnc2c2ncccc12
InChIInChI=1S/C12H7N3O2.2ClH.Pd/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;;/h1-7H;2*1H;/q;;;+2/p-2
InChIKeyVEIBEGFXBVMHQQ-UHFFFAOYSA-L
MW402.53 g/mol
LogP4.07
Rot. Bonds1

About dichloropalladium;5-nitro-1,10-phenanthroline

dichloropalladium;5-nitro-1,10-phenanthroline (PubChem CID 5030888) has the molecular formula C12H7Cl2N3O2Pd and a molecular weight of 402.53 g/mol. Its IUPAC name is dichloropalladium;5-nitro-1,10-phenanthroline.

Molecular Properties

Compound Namedichloropalladium;5-nitro-1,10-phenanthroline
PubChem CID5030888
Molecular FormulaC12H7Cl2N3O2Pd
Molecular Weight402.53 g/mol
Exact Mass400.90
IUPAC Namedichloropalladium;5-nitro-1,10-phenanthroline
SMILESCl[Pd]Cl.O=[N+]([O-])c1cc2cccnc2c2ncccc12
InChIInChI=1S/C12H7N3O2.2ClH.Pd/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;;/h1-7H;2*1H;/q;;;+2/p-2
InChIKeyVEIBEGFXBVMHQQ-UHFFFAOYSA-L
XLogP4.07
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6,8-dinitroquinoline
CID 11106850
7-bromo-5-nitroquinolin-8-ol
CID 14125599
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
7-nitroquinolin-8-amine
CID 12663942
1-(8-nitroquinolin-6-yl)ethanone
CID 166162234
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
5-ethynyl-1,10-phenanthroline
CID 10703368
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-nitroquinolin-8-ol
CID 171983224
2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
CID 2827611
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
5-nitroquinoline-8-carboxylic acid
CID 15405331
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;5-nitro-1,10-phenanthroline?
The IUPAC name of dichloropalladium;5-nitro-1,10-phenanthroline (CID 5030888) is dichloropalladium;5-nitro-1,10-phenanthroline.
What is the SMILES notation for dichloropalladium;5-nitro-1,10-phenanthroline?
The canonical SMILES for dichloropalladium;5-nitro-1,10-phenanthroline is Cl[Pd]Cl.O=[N+]([O-])c1cc2cccnc2c2ncccc12.
What is the InChIKey of dichloropalladium;5-nitro-1,10-phenanthroline?
The InChIKey is VEIBEGFXBVMHQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H7N3O2.2ClH.Pd/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;;/h1-7H;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;5-nitro-1,10-phenanthroline?
dichloropalladium;5-nitro-1,10-phenanthroline has a molecular weight of 402.53 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;5-nitro-1,10-phenanthroline is sourced from PubChem (CID 5030888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).