ethyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate

CAS: 1196153-48-6

Formula: C9H7BrF3NO2

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

IUPAC: ethyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C9H7BrF3NO2/c1-2-16-8(15)6-3-5(10)4-14-7(6)9(11,12)13/h3-4H,2H2,1H3

Composition: C (36.27%), H (2.37%), Br (26.81%), F (19.12%), N (4.70%), O (10.74%)

Molar Mass: 298.059

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.961226
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YEAIEMZSNDSLHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.9
Topological Polar Surface Area	39.19
Polarizability	20.22
Ring Count	1
Rotatable Bond Count	4

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