2,2'-Bipyridine-5,5'-dicarboxylic acid - CAS 1802-30-8
Catalog: |
BB013655 |
Product Name: |
2,2'-Bipyridine-5,5'-dicarboxylic acid |
CAS: |
1802-30-8 |
Synonyms: |
6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid |
Description: | A Nicotinic acid (N429250) derivative for treatment of hypercholesterolemia and hyperlipidemia and cardiovascular disease. |
Molecular Weight: | 244.20 |
Molecular Formula: | C12H8N2O4 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)C2=NC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18) |
InChI Key: | KVQMUHHSWICEIH-UHFFFAOYSA-N |
Boiling Point: | 521 ℃ at 760 mmHg |
Melting Point: | >360 ℃ |
Purity: | 95 % |
Density: | 1.469 g/cm3 |
MDL: | MFCD01318320 |
LogP: | 1.54000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22996943 | 20121022 | The use of electrospray mass spectrometry to determine speciation in a dynamic combinatorial library for anion recognition | Chemistry (Weinheim an der Bergstrasse, Germany) |
22969486 | 20120901 | Poly[(μ(5)-2,2'-bipyridine-5,5'-dicarboxyl-ato)lead(II)] | Acta crystallographica. Section E, Structure reports online |
21780787 | 20110831 | Doping metal-organic frameworks for water oxidation, carbon dioxide reduction, and organic photocatalysis | Journal of the American Chemical Society |
21738933 | 20110821 | Vapour-adsorption and chromic behaviours of luminescent coordination polymers composed of a Pt(II)-diimine metalloligand and alkaline-earth metal ions | Dalton transactions (Cambridge, England : 2003) |
20849109 | 20101020 | Metal insertion in a microporous metal-organic framework lined with 2,2'-bipyridine | Journal of the American Chemical Society |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04840674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 100 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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