2,3,5-Trimethylpyridine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9485 g/mL (at 0 °C)
- Melting point
- 183 °C
- Boiling point
- 184 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed10.4% of notifiers
- H312 Harmful in contact with skin10.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled10.4% 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
695-98-7SMILES
Cc1cnc(C)c(C)c1InChIKey
GFYHSKONPJXCDE-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Pyridine, 2,3,5-trimethyl-
- 2,3,5-Collidine
Work with 2,3,5-Trimethylpyridine
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
5-Bromo-2,3-dimethylpyridine27063-90-756 % similar
2-Bromo-3,5-dimethylpyridine92992-85-356 % similar
2,3-Dimethyl-5-nitropyridine89244-47-345 % similar
Mesityl fluoride392-69-842 % similar
2-Fluoro-3-iodo-5-methylpyridine153034-78-742 % similar
3,5-Lutidine591-22-042 % similar
2,3-Dibromo-5-methylpyridine29232-39-140 % similar
Isodurene527-53-740 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.