bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)

C38H34F4N6ORu — CID 153419600

IUPACbis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
SMILESC=CCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H18F4N2O.2C10H8N2.Ru/c1-2-9-25-18-16(21)14(19)13(15(20)17(18)22)12(10-5-3-7-23-10)11-6-4-8-24-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2,10H,1,3-9H2;2*1-8H;/q-2;;;+2/b12-11+;;;
InChIKeyOOTKXZRHGDPALG-UECMSYGKSA-N
MW767.79 g/mol
LogP9.51
Rot. Bonds7

About bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)

bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) (PubChem CID 153419600) has the molecular formula C38H34F4N6ORu and a molecular weight of 767.79 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+).

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
PubChem CID153419600
Molecular FormulaC38H34F4N6ORu
Molecular Weight767.79 g/mol
Exact Mass768.18
IUPAC Namebis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)
SMILESC=CCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H18F4N2O.2C10H8N2.Ru/c1-2-9-25-18-16(21)14(19)13(15(20)17(18)22)12(10-5-3-7-23-10)11-6-4-8-24-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2,10H,1,3-9H2;2*1-8H;/q-2;;;+2/b12-11+;;;
InChIKeyOOTKXZRHGDPALG-UECMSYGKSA-N
XLogP9.51
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.79
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The IUPAC name of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) (CID 153419600) is bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+).
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) is C=CCOc1c(F)c(F)c(/C(=C2\CCC[N-]2)C2CCC[N-]2)c(F)c1F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
The InChIKey is OOTKXZRHGDPALG-UECMSYGKSA-N. The full InChI is InChI=1S/C18H18F4N2O.2C10H8N2.Ru/c1-2-9-25-18-16(21)14(19)13(15(20)17(18)22)12(10-5-3-7-23-10)11-6-4-8-24-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2,10H,1,3-9H2;2*1-8H;/q-2;;;+2/b12-11+;;;.
What are the key properties of bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+)?
bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) has a molecular weight of 767.79 g/mol, XLogP of 9.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);(2Z)-2-[pyrrolidin-1-id-2-yl-(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenyl)methylidene]pyrrolidin-1-ide;ruthenium(2+) is sourced from PubChem (CID 153419600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).