dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)

C14H20Cl2MoN2O2+2 — CID 18683165

IUPACdichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)
SMILESC[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[Mo]Cl
InChIInChI=1S/2C7H9NO.2ClH.Mo/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2
InChIKeyZBRQLFUKNQEFRG-UHFFFAOYSA-N
MW415.17 g/mol
LogP2.86
Rot. Bonds4

About dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)

dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium) (PubChem CID 18683165) has the molecular formula C14H20Cl2MoN2O2+2 and a molecular weight of 415.17 g/mol. Its IUPAC name is dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium).

Molecular Properties

Compound Namedichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)
PubChem CID18683165
Molecular FormulaC14H20Cl2MoN2O2+2
Molecular Weight415.17 g/mol
Exact Mass415.99
IUPAC Namedichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)
SMILESC[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[Mo]Cl
InChIInChI=1S/2C7H9NO.2ClH.Mo/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2
InChIKeyZBRQLFUKNQEFRG-UHFFFAOYSA-N
XLogP2.86
TPSA51.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The IUPAC name of dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium) (CID 18683165) is dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium).
What is the SMILES notation for dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The canonical SMILES for dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium) is C[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[Mo]Cl.
What is the InChIKey of dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The InChIKey is ZBRQLFUKNQEFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO.2ClH.Mo/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2.
What are the key properties of dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium) has a molecular weight of 415.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromolybdenum;bis(methyl(pyridin-2-ylmethyl)oxidanium) is sourced from PubChem (CID 18683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).