methyl 4-(trifluoromethyl)pyridine-3-carboxylate

methyl 4-(trifluoromethyl)pyridine-3-carboxylate

CAS: 175204-82-7

Formula: C8H6F3NO2

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

IUPAC: methyl 4-(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C8H6F3NO2/c1-14-7(13)5-4-12-3-2-6(5)8(9,10)11/h2-4H,1H3

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.035062926
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RFUABQNZKSSKRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.9
Topological Polar Surface Area	39.19
Polarizability	15.26
Ring Count	1
Rotatable Bond Count	3

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