Responsive image

Common name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

IUPAC name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

SMILES


C(Oc1c(cncc1)C)C(F)(F)F

Common name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

IUPAC name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

SMILES


C(Oc1c(cncc1)C)C(F)(F)F

INCHI


InChI=1S/C8H8F3NO/c1-6-4-12-3-2-7(6)13-5-8(9,10)11/h2-4H,5H2,1H3

FORMULA


C8H8F3NO

Responsive image

Common name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

IUPAC name


3-methyl-4-(2,2,2-trifluoroethoxy)pyridine





Molecular weight


191.150

clogP


2.671

clogS


-2.992

Frequency


0.0003





HBond Acceptor


2

HBond Donor


0

Total Polar
Surface Area


22.12

Number of Rings


1

Rotatable Bond


3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00323 Lansoprazole Responsive image Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Anti-Infective Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
115 , 12