carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)

C26H22N4O8Ru+2 — CID 20588961

IUPACcarbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-].[CH3-].[Ru+4]
InChIInChI=1S/2C12H8N2O4.2CH3.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h2*1-6H,(H,15,16)(H,17,18);2*1H3;/q;;2*-1;+4
InChIKeyPMVKQTOQCQNRTQ-UHFFFAOYSA-N
MW619.55 g/mol
LogP3.98
Rot. Bonds6

About carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)

carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+) (PubChem CID 20588961) has the molecular formula C26H22N4O8Ru+2 and a molecular weight of 619.55 g/mol. Its IUPAC name is carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+).

Molecular Properties

Compound Namecarbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)
PubChem CID20588961
Molecular FormulaC26H22N4O8Ru+2
Molecular Weight619.55 g/mol
Exact Mass620.05
IUPAC Namecarbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-].[CH3-].[Ru+4]
InChIInChI=1S/2C12H8N2O4.2CH3.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h2*1-6H,(H,15,16)(H,17,18);2*1H3;/q;;2*-1;+4
InChIKeyPMVKQTOQCQNRTQ-UHFFFAOYSA-N
XLogP3.98
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.55
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
2,2'-Bipyridine-4,4'-dicarboxylic acid
CID 688094
2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
CID 10589647
Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate
CID 66776557
Cis-bis(isothiocyanato)(2,2 inverted exclamation marka-bipyridyl-4,4 inverted exclamation marka-dicarboxylato)(4,4 inverted exclamation marka-bis(5-hexylthiophen-2-yl)-2,2 inverted exclamation marka-bipyridyl)ruthenium(II)
CID 58489256
2-Pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
CID 162665504
2-[6-(6-Fluoro-3-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 168275402
2-(6-Pyridin-3-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 168282305
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
4'-Methyl(2,2'-bipyridine)-4-carboxylic acid
CID 11127621

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)?
The IUPAC name of carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+) (CID 20588961) is carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+).
What is the SMILES notation for carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)?
The canonical SMILES for carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+) is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[CH3-].[CH3-].[Ru+4].
What is the InChIKey of carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)?
The InChIKey is PMVKQTOQCQNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.2CH3.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h2*1-6H,(H,15,16)(H,17,18);2*1H3;/q;;2*-1;+4.
What are the key properties of carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+)?
carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+) has a molecular weight of 619.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(4+) is sourced from PubChem (CID 20588961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).