dichlororhenium;methanone;2-pyridin-2-ylpyridine

C12H10Cl2N2O2Re-2 — CID 162455294

IUPACdichlororhenium;methanone;2-pyridin-2-ylpyridine
SMILESCl[Re]Cl.[CH-]=O.[CH-]=O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2CHO.2ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;;/h1-8H;2*1H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyJRDSSCNGHHSOGQ-UHFFFAOYSA-L
MW471.34 g/mol
LogP2.97
Rot. Bonds1

About dichlororhenium;methanone;2-pyridin-2-ylpyridine

dichlororhenium;methanone;2-pyridin-2-ylpyridine (PubChem CID 162455294) has the molecular formula C12H10Cl2N2O2Re-2 and a molecular weight of 471.34 g/mol. Its IUPAC name is dichlororhenium;methanone;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namedichlororhenium;methanone;2-pyridin-2-ylpyridine
PubChem CID162455294
Molecular FormulaC12H10Cl2N2O2Re-2
Molecular Weight471.34 g/mol
Exact Mass470.97
IUPAC Namedichlororhenium;methanone;2-pyridin-2-ylpyridine
SMILESCl[Re]Cl.[CH-]=O.[CH-]=O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2CHO.2ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;;/h1-8H;2*1H;2*1H;/q;2*-1;;;+2/p-2
InChIKeyJRDSSCNGHHSOGQ-UHFFFAOYSA-L
XLogP2.97
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 87118114
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CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
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iridium;2-pyridin-2-ylpyridine;ruthenium
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CID 173206951

Frequently Asked Questions

What is the IUPAC name of dichlororhenium;methanone;2-pyridin-2-ylpyridine?
The IUPAC name of dichlororhenium;methanone;2-pyridin-2-ylpyridine (CID 162455294) is dichlororhenium;methanone;2-pyridin-2-ylpyridine.
What is the SMILES notation for dichlororhenium;methanone;2-pyridin-2-ylpyridine?
The canonical SMILES for dichlororhenium;methanone;2-pyridin-2-ylpyridine is Cl[Re]Cl.[CH-]=O.[CH-]=O.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dichlororhenium;methanone;2-pyridin-2-ylpyridine?
The InChIKey is JRDSSCNGHHSOGQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2CHO.2ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;;/h1-8H;2*1H;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of dichlororhenium;methanone;2-pyridin-2-ylpyridine?
dichlororhenium;methanone;2-pyridin-2-ylpyridine has a molecular weight of 471.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororhenium;methanone;2-pyridin-2-ylpyridine is sourced from PubChem (CID 162455294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).