ethyl 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylate

CAS: 1565827-82-8

Formula: C11H9F3N2O2

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

IUPAC: ethyl 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C11H9F3N2O2/c1-3-18-10(17)9-7(5-15)8(11(12,13)14)4-6(2)16-9/h4H,3H2,1-2H3

Composition: C (51.17%), H (3.51%), F (22.07%), N (10.85%), O (12.39%)

Molar Mass: 258.2

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.061612027
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DMLLNFQVSLORRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.59
Topological Polar Surface Area	62.98
Polarizability	20.64
Ring Count	1
Rotatable Bond Count	4

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