2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate

C36H33CoN6O18 — CID 139155514

IUPAC2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate
SMILESO.O.O.O.O.O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Co+3]
InChIInChI=1S/3C12H8N2O4.Co.6H2O/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;;;;;/h3*1-6H,(H,15,16)(H,17,18);;6*1H2/q;;;+3;;;;;;/p-3
InChIKeyYVKKPWJYXLRUQP-UHFFFAOYSA-K
MW896.62 g/mol
LogP-4.33
Rot. Bonds9

About 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate

2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate (PubChem CID 139155514) has the molecular formula C36H33CoN6O18 and a molecular weight of 896.62 g/mol. Its IUPAC name is 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate.

Molecular Properties

Compound Name2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate
PubChem CID139155514
Molecular FormulaC36H33CoN6O18
Molecular Weight896.62 g/mol
Exact Mass896.12
IUPAC Name2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate
SMILESO.O.O.O.O.O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Co+3]
InChIInChI=1S/3C12H8N2O4.Co.6H2O/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;;;;;/h3*1-6H,(H,15,16)(H,17,18);;6*1H2/q;;;+3;;;;;;/p-3
InChIKeyYVKKPWJYXLRUQP-UHFFFAOYSA-K
XLogP-4.33
TPSA498.63 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.62
LogP ≤ 5-4.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate with MolForge

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Related Compounds

2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
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-(6-Pyridin-3-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 168282305
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
Cis-Bis(isothiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylato)(4,4'-bis(5-(hexylthio)thiophen-2-yl)-2,2'-bipyridyl)ruthenium(II)
CID 155896514
[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid
CID 11233869
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
2-(3-Pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 90992560
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate?
The IUPAC name of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate (CID 139155514) is 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate.
What is the SMILES notation for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate?
The canonical SMILES for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate is O.O.O.O.O.O.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Co+3].
What is the InChIKey of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate?
The InChIKey is YVKKPWJYXLRUQP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H8N2O4.Co.6H2O/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;;;;;/h3*1-6H,(H,15,16)(H,17,18);;6*1H2/q;;;+3;;;;;;/p-3.
What are the key properties of 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate?
2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate has a molecular weight of 896.62 g/mol, XLogP of -4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);hexahydrate is sourced from PubChem (CID 139155514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).