ethyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate

ethyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate

CAS: 1196154-43-4

Formula: C9H7ClF3NO2

SMILES: CCOC(=O)C1=CC(Cl)=NC(=C1)C(F)(F)F

IUPAC: ethyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate

InChI: InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)5-3-6(9(11,12)13)14-7(10)4-5/h3-4H,2H2,1H3

Composition: C (42.62%), H (2.78%), Cl (13.98%), F (22.47%), N (5.52%), O (12.62%)

Molar Mass: 253.61

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.0117407
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GNYKPDXWDIAZHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.14
Topological Polar Surface Area	39.19
Polarizability	19.11
Ring Count	1
Rotatable Bond Count	4

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