2-hydroxy-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-hydroxy-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

CAS: 116548-08-4

Formula: C8H5F3N2O

SMILES: CC1=C(C#N)C(O)=NC(=C1)C(F)(F)F

IUPAC: 2-hydroxy-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

InChI: InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)

Composition: C (47.54%), H (2.49%), F (28.20%), N (13.86%), O (7.91%)

Molar Mass: 202.136

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.035397278
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KJPCSAVVWNUZOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.56
Topological Polar Surface Area	56.91
Polarizability	15.03
Ring Count	1
Rotatable Bond Count	1

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