3-(Trifluoromethyl)pyridine
Properties
- Molecular formula
- C6H4F3N
- Molar mass
- 147.10 g/mol
- Exact mass
- 147.0296 Da
- Boiling point
- 114 °C
- logP
- 2.10Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor10.4% of notifiers
- H226 Flammable liquid and vapor89.6% of notifiers
- H300 Fatal if swallowed81.2% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H335 May cause respiratory irritation95.8% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3796-23-4SMILES
FC(F)(F)c1cccnc1InChIKey
JTZSFNHHVULOGJ-UHFFFAOYSA-NInChI
InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Pyridine, 3-(trifluoromethyl)-
- 5-(Trifluoromethyl)pyridine
Work with 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,5-Bis(trifluoromethyl)pyridine20857-47-052 % similar
Trifluorotoluene98-08-850 % similar
3,5-Bis(trifluoromethyl)benzene402-31-348 % similar
3-Fluoropyridine372-47-446 % similar
1,4-Bis(trifluoromethyl)benzene433-19-243 % similar
2-Fluoro-5-(trifluoromethyl)pyridine69045-82-543 % similar
2-Iodo-5-(trifluoromethyl)pyridine100366-75-442 % similar
5-(Trifluoromethyl)pyridin-3-amine112110-07-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.