chempirical

2-Methoxy-3-(trifluoromethyl)pyridine

C7H6F3NOCAS 121643-44-5177.13 g/mol

Open in Covalent MOL file
ONFFF
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

Identifiers

CAS number
121643-44-5
SMILES
COC1=C(C=CC=N1)C(F)(F)F
InChIKey
SSAZZVQVJJXPMB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3

Weigh it out

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

Work with 2-Methoxy-3-(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

3-Bromo-2-methoxypyridine13472-59-852 % similar 2-Methoxy-3-pyridinamine20265-38-752 % similar 3-Iodo-2-methoxypyridine112197-15-650 % similar 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-050 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-150 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-247 % similar 2-Methoxy-3-pyridinemethanol112197-16-746 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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