Synonyms
[2,2'-Bipyridine]-5,5'-dicarboxylic Acid Diethyl Ester
IUPAC Name
ethyl 6-(5-ethoxycarbonylpyridin-2-yl)pyridine-3-carboxylate;
Molecular Weight
300.30
Molecular Formula
C16H16N2O4
Canonical SMILES
CCOC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OCC;
InChI
InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3;
InChI Key
IUNBUYCOAQHBMC-UHFFFAOYSA-N;
Purity
98%+
Appearance
Powder or crystal
Complexity
352
Covalently-Bonded Unit Count
1
Exact Mass
300.111g/mol
H-Bond Acceptor
6
Heavy Atom Count
22
Monoisotopic Mass
300.111g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
78.4A^2
