2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride

C24H20Cl3MnN2O3 — CID 159050723

IUPAC2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
SMILESCOc1ccc(O)c(-c2cccc(-c3cccc(-c4ccc(C)cc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C24H20N2O3.3ClH.Mn/c1-15-9-11-17(24(28)13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(29-2)10-12-23(18)27;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyJXFPUPYBHIYWIK-UHFFFAOYSA-K
MW545.73 g/mol
LogP-3.78
Rot. Bonds4

About 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride

2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride (PubChem CID 159050723) has the molecular formula C24H20Cl3MnN2O3 and a molecular weight of 545.73 g/mol. Its IUPAC name is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride.

Molecular Properties

Compound Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
PubChem CID159050723
Molecular FormulaC24H20Cl3MnN2O3
Molecular Weight545.73 g/mol
Exact Mass543.99
IUPAC Name2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
SMILESCOc1ccc(O)c(-c2cccc(-c3cccc(-c4ccc(C)cc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C24H20N2O3.3ClH.Mn/c1-15-9-11-17(24(28)13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(29-2)10-12-23(18)27;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyJXFPUPYBHIYWIK-UHFFFAOYSA-K
XLogP-3.78
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.73
LogP ≤ 5-3.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride with MolForge

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Related Compounds

2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
CID 159382088
2-[6-[6-(2-hydroxy-4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol
CID 135544149
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
CID 159753268
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
2-(2-chloro-5-methoxyphenyl)-6-methylpyridine;ethane
CID 144911954
4-methoxy-2-(1-methylimidazol-2-yl)phenol
CID 136869285
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 137317421
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 1358031

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The IUPAC name of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride (CID 159050723) is 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride.
What is the SMILES notation for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The canonical SMILES for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride is COc1ccc(O)c(-c2cccc(-c3cccc(-c4ccc(C)cc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3].
What is the InChIKey of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The InChIKey is JXFPUPYBHIYWIK-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H20N2O3.3ClH.Mn/c1-15-9-11-17(24(28)13-15)19-5-3-7-21(25-19)22-8-4-6-20(26-22)18-14-16(29-2)10-12-23(18)27;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride has a molecular weight of 545.73 g/mol, XLogP of -3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride is sourced from PubChem (CID 159050723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).