Pentafluoropyridine
Properties
- Molecular formula
- C5F5N
- Molar mass
- 169.05 g/mol
- Exact mass
- 168.9951 Da
- Melting point
- −42 °C
- Boiling point
- 83.5 °C
- logP
- 1.78Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor98.1% of notifiers
- H302 Harmful if swallowed86.5% of notifiers
- H312 Harmful in contact with skin86.5% of notifiers
- H314 Causes severe skin burns and eye damage11.5% of notifiers
- H332 Harmful if inhaled86.5% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
700-16-3SMILES
Fc1nc(F)c(F)c(F)c1FInChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-NInChI
InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyridine, 2,3,4,5,6-pentafluoro-
- Pyridine, pentafluoro-
- 2,3,4,5,6-Pentafluoropyridine
- Perfluoropyridine
Work with Pentafluoropyridine
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-Chloro-2,4,5,6-tetrafluoropyridine1735-84-860 % similar
4-Amino-2,3,5,6-tetrafluoropyridine1682-20-858 % similar
3,5-Dichloro-2,4,6-trifluoropyridine1737-93-550 % similar
Hexafluorobenzene392-56-346 % similar
2,3,4,6-Tetrafluoropyridine3512-13-842 % similar
4,5,6-Trifluoropyrimidine17573-78-340 % similar
2,3,5,6-Tetrafluoropyridine2875-18-540 % similar
Octafluoronaphthalene313-72-438 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.