2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)

C43H28N5O8Ru — CID 58321420

IUPAC2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.O=COc1ccnc(-c2cc(OC=O)c3ccccc3n2)c1.[Ru+].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H10N2O4.C11H8N.Ru/c19-9-21-11-5-6-17-14(7-11)15-8-16(22-10-20)12-3-1-2-4-13(12)18-15;19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-8H,(H,19,20)(H,21,22);1-6,8-9H;/q;;-1;+1
InChIKeyPKWXFSHVYKNDOB-UHFFFAOYSA-N
MW843.79 g/mol
LogP7.61
Rot. Bonds9

About 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) (PubChem CID 58321420) has the molecular formula C43H28N5O8Ru and a molecular weight of 843.79 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+).

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
PubChem CID58321420
Molecular FormulaC43H28N5O8Ru
Molecular Weight843.79 g/mol
Exact Mass844.10
IUPAC Name2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.O=COc1ccnc(-c2cc(OC=O)c3ccccc3n2)c1.[Ru+].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H10N2O4.C11H8N.Ru/c19-9-21-11-5-6-17-14(7-11)15-8-16(22-10-20)12-3-1-2-4-13(12)18-15;19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-8H,(H,19,20)(H,21,22);1-6,8-9H;/q;;-1;+1
InChIKeyPKWXFSHVYKNDOB-UHFFFAOYSA-N
XLogP7.61
TPSA191.65 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.79
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
CID 58321412
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium
CID 161163604
carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium
CID 158249060
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
isoquinoline-1-carboxylic acid;2-phenylpyridine;platinum
CID 59015412
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(1,10-phenanthroline);bis(ruthenium(1+))
CID 58239573
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
tetrakis(iridium);bis(methyl 2-phenylpyridine-4-carboxylate);hexakis(2-phenylpyridine);tetracyanide
CID 58274039
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) (CID 58321420) is 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+).
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) is O=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.O=COc1ccnc(-c2cc(OC=O)c3ccccc3n2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?
The InChIKey is PKWXFSHVYKNDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10N2O4.C11H8N.Ru/c19-9-21-11-5-6-17-14(7-11)15-8-16(22-10-20)12-3-1-2-4-13(12)18-15;19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-8H,(H,19,20)(H,21,22);1-6,8-9H;/q;;-1;+1.
What are the key properties of 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)?
2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) has a molecular weight of 843.79 g/mol, XLogP of 7.61, 9 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)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).