3,5-Lutidine
Properties
- Molecular formula
- C7H9N
- Molar mass
- 107.16 g/mol
- Exact mass
- 107.0735 Da
- Density
- 0.9385 g/mL (at 25 °C)
- Melting point
- −6.6 °C
- Boiling point
- 172 °C
- logP
- 1.70Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301+H331 Toxic if swallowed or if inhaled18.8% of notifiers
- H301 Toxic if swallowed71.8% of notifiers
- H302 Harmful if swallowed28.2% of notifiers
- H311 Toxic in contact with skin48.3% of notifiers
- H312 Harmful in contact with skin51% of notifiers
- H314 Causes severe skin burns and eye damage32.2% of notifiers
- H315 Causes skin irritation67.8% of notifiers
- H317 May cause an allergic skin reaction10.7% of notifiers
- H318 Causes serious eye damage96% of notifiers
- H330 Fatal if inhaled10.7% of notifiers
- H331 Toxic if inhaled24.2% of notifiers
- H332 Harmful if inhaled63.8% of notifiers
- H335 May cause respiratory irritation77.2% of notifiers
Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
591-22-0SMILES
Cc1cncc(C)c1InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-NInChI
InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 3,5-dimethyl-
- 3,5-Dimethylpyridine
- NSC 60736
Work with 3,5-Lutidine
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-Bromo-5-methylpyridine3430-16-862 % similar
5-Methyl-3-pyridinamine3430-19-162 % similar
3-Fluoro-5-methylpyridine407-21-662 % similar
3-Hydroxy-5-methylpyridine42732-49-062 % similar
5-Methylpyrimidine2036-41-156 % similar
(5-Methylpyridin-3-yl)methanol102074-19-154 % similar
5-Methylpyridine-3-boronic acid173999-18-354 % similar
5-Methyl-3-pyridinecarbonitrile42885-14-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.