4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride

C28H32Cl3N10O2Os-3 — CID 158814278

IUPAC4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os]
InChIInChI=1S/C12H12N2O2.2C8H10N4.3ClH.Os/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3-8H,1-2H3;2*3-6H,1-2H3;3*1H;/p-3
InChIKeyIVBMMAYWJGXMGY-UHFFFAOYSA-K
MW837.22 g/mol
LogP-5.19
Rot. Bonds5

About 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride

4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride (PubChem CID 158814278) has the molecular formula C28H32Cl3N10O2Os-3 and a molecular weight of 837.22 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
PubChem CID158814278
Molecular FormulaC28H32Cl3N10O2Os-3
Molecular Weight837.22 g/mol
Exact Mass837.14
IUPAC Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os]
InChIInChI=1S/C12H12N2O2.2C8H10N4.3ClH.Os/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3-8H,1-2H3;2*3-6H,1-2H3;3*1H;/p-3
InChIKeyIVBMMAYWJGXMGY-UHFFFAOYSA-K
XLogP-5.19
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.22
LogP ≤ 5-5.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride (CID 158814278) is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride.
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride is COc1ccnc(-c2cc(OC)ccn2)c1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os].
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride?
The InChIKey is IVBMMAYWJGXMGY-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H12N2O2.2C8H10N4.3ClH.Os/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3-8H,1-2H3;2*3-6H,1-2H3;3*1H;/p-3.
What are the key properties of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride?
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride has a molecular weight of 837.22 g/mol, XLogP of -5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride is sourced from PubChem (CID 158814278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).