ethyl 2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(trifluoromethyl)pyridine-3-carboxylate

CAS: 208517-35-5

Formula: C9H8F3NO2

SMILES: CCOC(=O)C1=CC=CN=C1C(F)(F)F

IUPAC: ethyl 2-(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-13-7(6)9(10,11)12/h3-5H,2H2,1H3

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UNDXNPHDXSFEAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.28
Topological Polar Surface Area	39.19
Polarizability	17.04
Ring Count	1
Rotatable Bond Count	4

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