benzyl 6-(ethylcarbamoyl)-4-(trifluoromethyl)pyridine-2-carboxylate

benzyl 6-(ethylcarbamoyl)-4-(trifluoromethyl)pyridine-2-carboxylate

CAS: 1209347-26-1

Formula: C17H15F3N2O3

SMILES: CCNC(=O)C1=CC(=CC(=N1)C(=O)OCC1=CC=CC=C1)C(F)(F)F

IUPAC: benzyl 6-(ethylcarbamoyl)-4-(trifluoromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C17H15F3N2O3/c1-2-21-15(23)13-8-12(17(18,19)20)9-14(22-13)16(24)25-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,23)

Composition: C (57.96%), H (4.29%), F (16.18%), N (7.95%), O (13.62%)

Molar Mass: 352.313

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	352.10347684
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVXQVLHNSPPYPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.49
Topological Polar Surface Area	68.29
Polarizability	31.15
Ring Count	2
Rotatable Bond Count	7

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