2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)

C29H19F8N7Ru — CID 161496314

IUPAC2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.[Ru]
InChIInChI=1S/C11H7F2N.2C9H6F3N3.Ru/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-7H;2*1-5H,(H,14,15);
InChIKeyWGGFTVFWKATEEM-UHFFFAOYSA-N
MW718.57 g/mol
LogP8.01
Rot. Bonds3

About 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)

2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) (PubChem CID 161496314) has the molecular formula C29H19F8N7Ru and a molecular weight of 718.57 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine).

Molecular Properties

Compound Name2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
PubChem CID161496314
Molecular FormulaC29H19F8N7Ru
Molecular Weight718.57 g/mol
Exact Mass719.06
IUPAC Name2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.[Ru]
InChIInChI=1S/C11H7F2N.2C9H6F3N3.Ru/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-7H;2*1-5H,(H,14,15);
InChIKeyWGGFTVFWKATEEM-UHFFFAOYSA-N
XLogP8.01
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.57
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
bis(2-(2,4-difluorophenyl)pyridine);indium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 159112351
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 175190624
[2-[(2,4-difluorophenyl)methyl]phenyl]-phenylphosphinic acid;iridium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 160547510
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
dichloroplatinum;2-(2,4-difluorophenyl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorophenyl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum
CID 159343755
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
N-(5-fluoro-2-pyridin-2-ylphenyl)pyridin-2-amine
CID 177414245
2-(2,4-difluorophenyl)-6-(pyridin-2-ylmethyl)pyridine
CID 158927077
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The IUPAC name of 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) (CID 161496314) is 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine).
What is the SMILES notation for 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The canonical SMILES for 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) is FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1ccc(-c2ccccn2)c(F)c1.[Ru].
What is the InChIKey of 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
The InChIKey is WGGFTVFWKATEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N.2C9H6F3N3.Ru/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-7H;2*1-5H,(H,14,15);.
What are the key properties of 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)?
2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) has a molecular weight of 718.57 g/mol, XLogP of 8.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)pyridine;ruthenium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine) is sourced from PubChem (CID 161496314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).