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

C24H20Cl3MnN2O2 — CID 173248667

IUPAC2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cc(C)ccc4O)cn3)nc2)c(O)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C24H20N2O2.3ClH.Mn/c1-15-4-10-23(27)20(11-15)18-6-9-22(26-14-18)21-8-5-17(13-25-21)19-7-3-16(2)12-24(19)28;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyKBJDXHRYCWUSFL-UHFFFAOYSA-K
MW529.73 g/mol
LogP-3.48
Rot. Bonds3

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

2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride (PubChem CID 173248667) has the molecular formula C24H20Cl3MnN2O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride.

Molecular Properties

Compound Name2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride
PubChem CID173248667
Molecular FormulaC24H20Cl3MnN2O2
Molecular Weight529.73 g/mol
Exact Mass528.00
IUPAC Name2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cc(C)ccc4O)cn3)nc2)c(O)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C24H20N2O2.3ClH.Mn/c1-15-4-10-23(27)20(11-15)18-6-9-22(26-14-18)21-8-5-17(13-25-21)19-7-3-16(2)12-24(19)28;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyKBJDXHRYCWUSFL-UHFFFAOYSA-K
XLogP-3.48
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.73
LogP ≤ 5-3.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-methyl-4-pyridinyl)phenol
CID 136955352
2-(2-methoxypyrimidin-5-yl)-5-methylphenol
CID 142614111
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
2-(2-amino-4-pyridinyl)-4-methylphenol
CID 136636104
2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate
CID 173248386
2-(4-bromophenyl)-4-methylphenol
CID 15169349
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
ethene;2-(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 143337895
2-(5-ethoxy-3-pyridinyl)-4-methylphenol
CID 83131203
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
6-(2-fluoro-5-methylphenyl)pyridin-3-ol
CID 53229218

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The IUPAC name of 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride (CID 173248667) is 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride.
What is the SMILES notation for 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The canonical SMILES for 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride is Cc1ccc(-c2ccc(-c3ccc(-c4cc(C)ccc4O)cn3)nc2)c(O)c1.[Cl-].[Cl-].[Cl-].[Mn+3].
What is the InChIKey of 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
The InChIKey is KBJDXHRYCWUSFL-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H20N2O2.3ClH.Mn/c1-15-4-10-23(27)20(11-15)18-6-9-22(26-14-18)21-8-5-17(13-25-21)19-7-3-16(2)12-24(19)28;;;;/h3-14,27-28H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride?
2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride has a molecular weight of 529.73 g/mol, XLogP of -3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride is sourced from PubChem (CID 173248667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).