3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium

C15H9F6N4Re- — CID 58880975

IUPAC3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5HF6N2.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;6-4(7,8)2-1-3(13-12-2)5(9,10)11;/h1-8H;1H;/q;-1;
InChIKeyWJEPFMNEVXHZDA-UHFFFAOYSA-N
MW545.46 g/mol
LogP4.22
Rot. Bonds1

About 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium

3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium (PubChem CID 58880975) has the molecular formula C15H9F6N4Re- and a molecular weight of 545.46 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium
PubChem CID58880975
Molecular FormulaC15H9F6N4Re-
Molecular Weight545.46 g/mol
Exact Mass546.03
IUPAC Name3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5HF6N2.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;6-4(7,8)2-1-3(13-12-2)5(9,10)11;/h1-8H;1H;/q;-1;
InChIKeyWJEPFMNEVXHZDA-UHFFFAOYSA-N
XLogP4.22
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Di(2-pyridyl)pyridazine
CID 659563
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 10155254
3,5-Di(2-pyridyl)pyrazole
CID 613762
2-(4-Chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813487
2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
US20230339900, Example 2
CID 162760946
2-(4-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813486
2-(5-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813488
2-(6-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813491
2-(3-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813485
4-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132211928
2-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132212053

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium?
The IUPAC name of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium (CID 58880975) is 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium.
What is the SMILES notation for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium?
The canonical SMILES for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Re].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium?
The InChIKey is WJEPFMNEVXHZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C5HF6N2.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;6-4(7,8)2-1-3(13-12-2)5(9,10)11;/h1-8H;1H;/q;-1;.
What are the key properties of 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium?
3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium has a molecular weight of 545.46 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium is sourced from PubChem (CID 58880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).