methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

CAS: 205582-88-3

Formula: C9H8F3NO2

SMILES: COC(=O)C1=C(C)N=C(C=C1)C(F)(F)F

IUPAC: methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

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

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	NEBSPXCPFDLIHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.12
Topological Polar Surface Area	39.19
Polarizability	16.98
Ring Count	1
Rotatable Bond Count	3

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