2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate

C28H23F2MnN2O8 — CID 173248646

IUPAC2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1c(F)cccc1-c1ccc(-c2ccc(-c3cccc(F)c3O)cn2)nc1.[Mn+3]
InChIInChI=1S/C22H14F2N2O2.3C2H4O2.Mn/c23-17-5-1-3-15(21(17)27)13-7-9-19(25-11-13)20-10-8-14(12-26-20)16-4-2-6-18(24)22(16)28;3*1-2(3)4;/h1-12,27-28H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyFXSQOUDCEKEQMR-UHFFFAOYSA-K
MW608.43 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate

2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate (PubChem CID 173248646) has the molecular formula C28H23F2MnN2O8 and a molecular weight of 608.43 g/mol. Its IUPAC name is 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate.

Molecular Properties

Compound Name2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate
PubChem CID173248646
Molecular FormulaC28H23F2MnN2O8
Molecular Weight608.43 g/mol
Exact Mass608.08
IUPAC Name2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1c(F)cccc1-c1ccc(-c2ccc(-c3cccc(F)c3O)cn2)nc1.[Mn+3]
InChIInChI=1S/C22H14F2N2O2.3C2H4O2.Mn/c23-17-5-1-3-15(21(17)27)13-7-9-19(25-11-13)20-10-8-14(12-26-20)16-4-2-6-18(24)22(16)28;3*1-2(3)4;/h1-12,27-28H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyFXSQOUDCEKEQMR-UHFFFAOYSA-K
XLogP1.43
TPSA186.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-[5-(2-hydroxy-5-propan-2-ylphenyl)-2-pyridinyl]-3-pyridinyl]-4-propan-2-ylphenol;manganese(3+);triacetate
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2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
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N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine
CID 122525626
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
2-fluoro-6-(2-methylphenyl)phenol
CID 171109405
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
3-[2-fluoro-6-(trifluoromethyl)phenyl]-5-(5-methyl-2-pyridinyl)benzoic acid
CID 67304308

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate?
The IUPAC name of 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate (CID 173248646) is 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate.
What is the SMILES notation for 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate?
The canonical SMILES for 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1c(F)cccc1-c1ccc(-c2ccc(-c3cccc(F)c3O)cn2)nc1.[Mn+3].
What is the InChIKey of 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate?
The InChIKey is FXSQOUDCEKEQMR-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H14F2N2O2.3C2H4O2.Mn/c23-17-5-1-3-15(21(17)27)13-7-9-19(25-11-13)20-10-8-14(12-26-20)16-4-2-6-18(24)22(16)28;3*1-2(3)4;/h1-12,27-28H;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate?
2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate has a molecular weight of 608.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol;manganese(3+);triacetate is sourced from PubChem (CID 173248646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).