ethyl 5-cyano-6-phenoxy-2-phenylpyridine-3-carboxylate

ethyl 5-cyano-6-phenoxy-2-phenylpyridine-3-carboxylate

CAS: 306980-14-3

Formula: C21H16N2O3

SMILES: CCOC(=O)C1=C(N=C(OC2=CC=CC=C2)C(=C1)C#N)C1=CC=CC=C1

IUPAC: ethyl 5-cyano-6-phenoxy-2-phenylpyridine-3-carboxylate

InChI: InChI=1S/C21H16N2O3/c1-2-25-21(24)18-13-16(14-22)20(26-17-11-7-4-8-12-17)23-19(18)15-9-5-3-6-10-15/h3-13H,2H2,1H3

Composition: C (73.24%), H (4.68%), N (8.13%), O (13.94%)

Molar Mass: 344.37

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	344.116092383
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VTKBDLHBAOQTAO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.72
Topological Polar Surface Area	72.21
Polarizability	38.83
Ring Count	3
Rotatable Bond Count	6

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