4-(Trifluoromethyl)pyridine
Properties
- Molecular formula
- C6H4F3N
- Molar mass
- 147.10 g/mol
- Exact mass
- 147.0296 Da
- Boiling point
- 108–110 °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 vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 46 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3796-24-5SMILES
FC(F)(F)c1ccncc1InChIKey
IIYVNMXPYWIJBL-UHFFFAOYSA-NInChI
InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Pyridine, 4-(trifluoromethyl)-
Work with 4-(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
1,4-Bis(trifluoromethyl)benzene433-19-261 % similar
Trifluorotoluene98-08-852 % similar
4-(Trifluoromethyl)thiophenol825-83-252 % similar
4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-052 % similar
2-Fluoro-4-(trifluoromethyl)pyridine118078-66-348 % similar
3,5-Bis(trifluoromethyl)pyridine20857-47-048 % similar
4-tert-Butylpyridine3978-81-248 % similar
4-Fluorobenzotrifluoride402-44-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.