5-Methoxy-2-(trifluoromethyl)pyridine

C7H6F3NOCAS 216766-13-1177.13 g/mol

Open in Covalent MOL file
OFFFN
Alkyl halideEther

Properties

Molecular formula
C7H6F3NO
Molar mass
177.13 g/mol
Exact mass
177.0401 Da
logP
2.11Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
216766-13-1
SMILES
COc1ccc(C(F)(F)F)nc1
InChIKey
MRHJZBSCOLVMGA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO/c1-12-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Pyridine, 5-methoxy-2-(trifluoromethyl)-
  • 5-Methoxy-2-trifluoromethylpyridine

Work with 5-Methoxy-2-(trifluoromethyl)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methoxy-4-(trifluoromethyl)benzene402-52-852 % similar 2,5-Dimethoxy pyridine867267-24-152 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-649 % similar 2-Amino-5-methoxypyridine10167-97-248 % similar 2-Bromo-5-methoxypyridine105170-27-248 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 2-Chloro-5-methoxypyridine139585-48-148 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-9 6-(Trifluoromethyl)pyridine-3-methanol386704-04-7 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook