acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane

C25H24MnN2O4 — CID 158800037

IUPACacetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
SMILESC.CC(=O)O.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Mn]
InChIInChI=1S/C22H16N2O2.C2H4O2.CH4.Mn/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-2(3)4;;/h1-14,25-26H;1H3,(H,3,4);1H4;
InChIKeyNQCFXFBRHJFDJS-UHFFFAOYSA-N
MW471.42 g/mol
LogP5.61
Rot. Bonds3

About acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane

acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane (PubChem CID 158800037) has the molecular formula C25H24MnN2O4 and a molecular weight of 471.42 g/mol. Its IUPAC name is acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane.

Molecular Properties

Compound Nameacetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
PubChem CID158800037
Molecular FormulaC25H24MnN2O4
Molecular Weight471.42 g/mol
Exact Mass471.11
IUPAC Nameacetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
SMILESC.CC(=O)O.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Mn]
InChIInChI=1S/C22H16N2O2.C2H4O2.CH4.Mn/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-2(3)4;;/h1-14,25-26H;1H3,(H,3,4);1H4;
InChIKeyNQCFXFBRHJFDJS-UHFFFAOYSA-N
XLogP5.61
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.42
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
CID 135673421
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
2-[6-[6-(2-hydroxy-4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol
CID 135544149
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
3-[6-[6-(3-hydroxynaphthalen-2-yl)-2-pyridinyl]-2-pyridinyl]naphthalen-2-ol;platinum
CID 135975700
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
N-[6-(2-hydroxyphenyl)pyridazin-3-yl]acetamide
CID 137045892
2-[3-methyl-8-(6-pyridin-2-yl-2-pyridinyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 168836116
4-[6-(3-hydroxy-1-methylpyridin-1-ium-4-yl)-2-pyridinyl]-1-methylpyridin-1-ium-3-ol
CID 135482294

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane?
The IUPAC name of acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane (CID 158800037) is acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane.
What is the SMILES notation for acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane?
The canonical SMILES for acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane is C.CC(=O)O.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[Mn].
What is the InChIKey of acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane?
The InChIKey is NQCFXFBRHJFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C2H4O2.CH4.Mn/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-2(3)4;;/h1-14,25-26H;1H3,(H,3,4);1H4;.
What are the key properties of acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane?
acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane has a molecular weight of 471.42 g/mol, XLogP of 5.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane is sourced from PubChem (CID 158800037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).