dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine

C12H12Cl2N2NiO2 — CID 24878702

IUPACdichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cl[Ni]Cl
InChIInChI=1S/C12H12N2O2.2ClH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFMXCYJMTCRBSOJ-UHFFFAOYSA-L
MW345.84 g/mol
LogP3.54
Rot. Bonds3

About dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine

dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine (PubChem CID 24878702) has the molecular formula C12H12Cl2N2NiO2 and a molecular weight of 345.84 g/mol. Its IUPAC name is dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine.

Molecular Properties

Compound Namedichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine
PubChem CID24878702
Molecular FormulaC12H12Cl2N2NiO2
Molecular Weight345.84 g/mol
Exact Mass343.96
IUPAC Namedichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cl[Ni]Cl
InChIInChI=1S/C12H12N2O2.2ClH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFMXCYJMTCRBSOJ-UHFFFAOYSA-L
XLogP3.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.84
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine?
The IUPAC name of dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine (CID 24878702) is dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine.
What is the SMILES notation for dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine?
The canonical SMILES for dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine is COc1ccnc(-c2cc(OC)ccn2)c1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine?
The InChIKey is FMXCYJMTCRBSOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H12N2O2.2ClH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine?
dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine has a molecular weight of 345.84 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine is sourced from PubChem (CID 24878702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).