dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride

C19H23Cl4N3NiO3 — CID 139150639

IUPACdichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride
SMILESClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/3C6H7NO.CH2Cl2.2ClH.Ni/c3*8-5-6-3-1-2-4-7-6;2-1-3;;;/h3*1-4,8H,5H2;1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyPUGCWDPNLWADAX-UHFFFAOYSA-L
MW541.92 g/mol
LogP-2.85
Rot. Bonds3

About dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride

dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride (PubChem CID 139150639) has the molecular formula C19H23Cl4N3NiO3 and a molecular weight of 541.92 g/mol. Its IUPAC name is dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride.

Molecular Properties

Compound Namedichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride
PubChem CID139150639
Molecular FormulaC19H23Cl4N3NiO3
Molecular Weight541.92 g/mol
Exact Mass538.98
IUPAC Namedichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride
SMILESClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/3C6H7NO.CH2Cl2.2ClH.Ni/c3*8-5-6-3-1-2-4-7-6;2-1-3;;;/h3*1-4,8H,5H2;1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyPUGCWDPNLWADAX-UHFFFAOYSA-L
XLogP-2.85
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.92
LogP ≤ 5-2.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

zinc;bis(acetonitrile);(S)-[bis(pyridin-2-ylmethyl)amino]-pyridin-2-ylmethanol;diperchlorate
CID 139121090
Dichloromethane;iridium;tris(2-pyridin-2-ylpropan-2-olate);hexafluorophosphate
CID 139124174
Dizinc;pyridin-2-ylmethanol;pyridin-2-ylmethanolate;triacetate
CID 139149945
Hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
CID 139150637
Dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)
CID 139173113
cis-Diaquabis[2-(hydroxymethyl)pyridine]nickel(II) dichloride
CID 168308707
Tris(2-pyridin-2-ylpropan-2-olate);rhodium(3+);hydrate
CID 168334445
Dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(pyridin-2-ylmethanol)
CID 168338603
Dioxidanium;nickel(2+);bis(pyridin-2-ylmethanol);dibromide
CID 168354018
Dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)
CID 18683165
Dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)
CID 18683166
2-(4-Fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol
CID 23568200

Frequently Asked Questions

What is the IUPAC name of dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride?
The IUPAC name of dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride (CID 139150639) is dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride.
What is the SMILES notation for dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride?
The canonical SMILES for dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride is ClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride?
The InChIKey is PUGCWDPNLWADAX-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H7NO.CH2Cl2.2ClH.Ni/c3*8-5-6-3-1-2-4-7-6;2-1-3;;;/h3*1-4,8H,5H2;1H2;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride?
dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride has a molecular weight of 541.92 g/mol, XLogP of -2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride is sourced from PubChem (CID 139150639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).