ethyl 5-(cyanomethyl)pyridine-2-carboxylate

ethyl 5-(cyanomethyl)pyridine-2-carboxylate

CAS: 913839-59-5

Formula: C10H10N2O2

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

IUPAC: ethyl 5-(cyanomethyl)pyridine-2-carboxylate

InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-4-3-8(5-6-11)7-12-9/h3-4,7H,2,5H2,1H3

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 190.202

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.07422757
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BFFCNSAQWVHNIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.59
Topological Polar Surface Area	62.98
Polarizability	19.24
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	913839-59-5		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43