ethyl 3-chloro-4-cyano-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-chloro-4-cyano-5-(trifluoromethyl)pyridine-2-carboxylate

CAS: 1221792-27-3

Formula: C10H6ClF3N2O2

SMILES: CCOC(=O)C1=NC=C(C(C#N)=C1Cl)C(F)(F)F

IUPAC: ethyl 3-chloro-4-cyano-5-(trifluoromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C10H6ClF3N2O2/c1-2-18-9(17)8-7(11)5(3-15)6(4-16-8)10(12,13)14/h4H,2H2,1H3

Composition: C (43.11%), H (2.17%), Cl (12.72%), F (20.46%), N (10.05%), O (11.48%)

Molar Mass: 278.62

Atom Count: 24

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.0069896
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RSZKROQMMAUQIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.8
Topological Polar Surface Area	62.98
Polarizability	20.97
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1221792-27-3		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31