2,2'-Bipyridine-3,3'?dicarboxylic acid - CAS 4433-01-6
Catalog: |
BB025567 |
Product Name: |
2,2'-Bipyridine-3,3'?dicarboxylic acid |
CAS: |
4433-01-6 |
Synonyms: |
2-(3-carboxypyridin-2-yl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-(3-carboxypyridin-2-yl)pyridine-3-carboxylic acid |
Description: | 2,2'-Bipyridine-3,3'?dicarboxylic acid (CAS# 4433-01-6) is a useful research chemical. |
Molecular Weight: | 244.20 |
Molecular Formula: | C12H8N2O4 |
Canonical SMILES: | C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O |
InChI: | InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18) |
InChI Key: | KNVZVRWMLMPTTJ-UHFFFAOYSA-N |
Boiling Point: | 454.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.469 g/cm3 |
MDL: | MFCD00226068 |
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 |
Publication Number | Title | Priority Date |
JP-2021073513-A | A liquid crystal composition, a method for producing the same, and a retardation film composed of the liquid crystal composition. | 20210115 |
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PMID | Publication Date | Title | Journal |
22719432 | 20120601 | 1,1'-Bicyclo-hexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22199522 | 20111201 | catena-Poly[[[triaqua-copper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxyl-ato-κN,N':O] monohydrate] | Acta crystallographica. Section E, Structure reports online |
18608758 | 20090401 | Anti-tubercular activity of ruthenium (II) complexes with polypyridines | Journal of enzyme inhibition and medicinal chemistry |
15640577 | 20050101 | A novel copper(II) coordination polymer with 2,2'-bipyridyl-3,3'-dicarboxylic acid | Acta crystallographica. Section C, Crystal structure communications |
12855842 | 20030701 | A single-strand helical coordination polymer: catena-poly[[[triaquanickel(II)]-mu-2,2'-bipyridine-3,3'-dicarboxylato-kappa(3)N,N':O] monohydrate] | Acta crystallographica. Section C, Crystal structure communications |
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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