2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium

C51H38N6O7Ru — CID 58769283

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium
SMILESC=CC(=O)OCc1ccc(C#Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C29H22N2O3.C12H8N2O4.C10H8N2.Ru/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-5,8-19H,1,20-21H2;1-6H,(H,15,16)(H,17,18);1-8H;
InChIKeyCZPXOBVWHWMIBU-UHFFFAOYSA-N
MW947.97 g/mol
LogP9.03
Rot. Bonds11

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium (PubChem CID 58769283) has the molecular formula C51H38N6O7Ru and a molecular weight of 947.97 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium
PubChem CID58769283
Molecular FormulaC51H38N6O7Ru
Molecular Weight947.97 g/mol
Exact Mass948.18
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium
SMILESC=CC(=O)OCc1ccc(C#Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C29H22N2O3.C12H8N2O4.C10H8N2.Ru/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-5,8-19H,1,20-21H2;1-6H,(H,15,16)(H,17,18);1-8H;
InChIKeyCZPXOBVWHWMIBU-UHFFFAOYSA-N
XLogP9.03
TPSA187.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.97
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Cis-bis(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)(4,4'-bis(phexyloxystyryl)-2,2'-bipyridine)ruthenium(II)
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Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate
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Ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);ditriiodide
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2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate;thiocyanate
CID 20606336
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 21058887
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(7-ethoxy-9,9-diethylfluoren-2-yl)-2-[4-(7-ethoxy-9,9-diethylfluoren-2-yl)-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 57683598
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-dibenzofuran-3-yl-2-(4-dibenzofuran-3-yl-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 57683602
Sodium;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;2-[4-(oxomethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 57773960
7-(diethylamino)-3-[(E)-2-[2-[4-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]chromen-2-one;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58130112
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);isothiocyanate;thiocyanate
CID 58130984
2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 58174941

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium (CID 58769283) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium is C=CC(=O)OCc1ccc(C#Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium?
The InChIKey is CZPXOBVWHWMIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3.C12H8N2O4.C10H8N2.Ru/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-5,8-19H,1,20-21H2;1-6H,(H,15,16)(H,17,18);1-8H;.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium has a molecular weight of 947.97 g/mol, XLogP of 9.03, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium is sourced from PubChem (CID 58769283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).