bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride

C40H44Cl2N8Ru — CID 129316181

IUPACbis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
SMILESCN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H14N2.2C10H8N2.2ClH.Ru/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*2,4,6,8,10H,3,5,7H2,1H3;2*1-8H;2*1H;/q;;;;;;+2/p-2/t2*10-;;;;;/m00...../s1
InChIKeyBQXVYFYPLMVART-ZPFSJBFKSA-L
MW808.82 g/mol
LogP1.99
Rot. Bonds4

About bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride

bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride (PubChem CID 129316181) has the molecular formula C40H44Cl2N8Ru and a molecular weight of 808.82 g/mol. Its IUPAC name is bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
PubChem CID129316181
Molecular FormulaC40H44Cl2N8Ru
Molecular Weight808.82 g/mol
Exact Mass808.21
IUPAC Namebis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
SMILESCN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H14N2.2C10H8N2.2ClH.Ru/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*2,4,6,8,10H,3,5,7H2,1H3;2*1-8H;2*1H;/q;;;;;;+2/p-2/t2*10-;;;;;/m00...../s1
InChIKeyBQXVYFYPLMVART-ZPFSJBFKSA-L
XLogP1.99
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.82
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The IUPAC name of bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride (CID 129316181) is bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride.
What is the SMILES notation for bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The canonical SMILES for bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride is CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
The InChIKey is BQXVYFYPLMVART-ZPFSJBFKSA-L. The full InChI is InChI=1S/2C10H14N2.2C10H8N2.2ClH.Ru/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*2,4,6,8,10H,3,5,7H2,1H3;2*1-8H;2*1H;/q;;;;;;+2/p-2/t2*10-;;;;;/m00...../s1.
What are the key properties of bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride?
bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride has a molecular weight of 808.82 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[(2S)-1-methylpyrrolidin-2-yl]pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride is sourced from PubChem (CID 129316181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).