ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium

C68H56N6O4Ru — CID 156734946

IUPACethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[Ru]
InChIInChI=1S/2C26H20N2.C16H16N2O4.Ru/c2*1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28-26)14-12-22-9-5-2-6-10-22;1-3-21-15(19)11-5-7-17-13(9-11)14-10-12(6-8-18-14)16(20)22-4-2;/h2*1-20H;5-10H,3-4H2,1-2H3;/b2*13-11+,14-12+;;
InChIKeyVEVXKDMANBDSGK-BACDDGDHSA-N
MW1122.30 g/mol
LogP15.46
Rot. Bonds15

About ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium

ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium (PubChem CID 156734946) has the molecular formula C68H56N6O4Ru and a molecular weight of 1122.30 g/mol. Its IUPAC name is ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium.

Molecular Properties

Compound Nameethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
PubChem CID156734946
Molecular FormulaC68H56N6O4Ru
Molecular Weight1122.30 g/mol
Exact Mass1122.34
IUPAC Nameethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[Ru]
InChIInChI=1S/2C26H20N2.C16H16N2O4.Ru/c2*1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28-26)14-12-22-9-5-2-6-10-22;1-3-21-15(19)11-5-7-17-13(9-11)14-10-12(6-8-18-14)16(20)22-4-2;/h2*1-20H;5-10H,3-4H2,1-2H3;/b2*13-11+,14-12+;;
InChIKeyVEVXKDMANBDSGK-BACDDGDHSA-N
XLogP15.46
TPSA129.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.30
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium with MolForge

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Related Compounds

ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
CID 175253783
2-[4-[(E)-2-[4-[4-(N-phenylanilino)phenoxy]phenyl]ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 89375182
ethyl acetate;stilbene
CID 159556390
ethyl 3-[2-(3,4-dihydroxyphenyl)ethenyl]benzoate
CID 68979803
ethyl 3-(3-chloroprop-1-enyl)benzoate
CID 169477820
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
CID 158970570
CID 158970570
diethyl benzene-1,3-dicarboxylate
CID 12491
bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;bis(ruthenium(2+));tetraisothiocyanate
CID 159959757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium?
The IUPAC name of ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium (CID 156734946) is ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium.
What is the SMILES notation for ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium?
The canonical SMILES for ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium is C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[Ru].
What is the InChIKey of ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium?
The InChIKey is VEVXKDMANBDSGK-BACDDGDHSA-N. The full InChI is InChI=1S/2C26H20N2.C16H16N2O4.Ru/c2*1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28-26)14-12-22-9-5-2-6-10-22;1-3-21-15(19)11-5-7-17-13(9-11)14-10-12(6-8-18-14)16(20)22-4-2;/h2*1-20H;5-10H,3-4H2,1-2H3;/b2*13-11+,14-12+;;.
What are the key properties of ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium?
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium has a molecular weight of 1122.30 g/mol, XLogP of 15.46, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium is sourced from PubChem (CID 156734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).