ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate

ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate

CAS: 1221791-78-1

Formula: C12H12N2O2

SMILES: CCOC(=O)C1=NC(=CC=C1C#N)C1CC1

IUPAC: ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate

InChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)11-9(7-13)5-6-10(14-11)8-3-4-8/h5-6,8H,2-4H2,1H3

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.089877634
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FQHVEROZFWIFJE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.02
Topological Polar Surface Area	62.98
Polarizability	22.27
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1221791-78-1		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02