ethyl 5-cyanopyridine-2-carboxylate

ethyl 5-cyanopyridine-2-carboxylate

CAS: 41051-03-0

Formula: C9H8N2O2

SMILES: CCOC(=O)C1=CC=C(C=N1)C#N

IUPAC: ethyl 5-cyanopyridine-2-carboxylate

InChI: InChI=1S/C9H8N2O2/c1-2-13-9(12)8-4-3-7(5-10)6-11-8/h3-4,6H,2H2,1H3

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.058577506
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GXSJSHGZQTWJLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.02
Topological Polar Surface Area	62.98
Polarizability	17.56
Ring Count	1
Rotatable Bond Count	3

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J&W PHARMLAB LLC

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