3-Methylpyridine
Properties
- Molecular formula
- C6H7N
- Molar mass
- 93.13 g/mol
- Exact mass
- 93.0578 Da
- Density
- 0.9566 g/mL (at 20 °C)
- Melting point
- −18.1 °C
- Boiling point
- 143–144 °C
- pKa
- 5.68 (20 °C)
- Flash point
- 37 °C (closed cup)
- Water solubility
- miscible (20 °C)
- logP
- 1.39Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor95.7% of notifiers
- H302 Harmful if swallowed98% of notifiers
- H311+H331 Toxic in contact with skin or if inhaled.82.3% of notifiers
- H311 Toxic in contact with skin96.3% of notifiers
- H314 Causes severe skin burns and eye damage87.9% of notifiers
- H318 Causes serious eye damage84.8% of notifiers
- H319 Causes serious eye irritation10.1% of notifiers
- H331 Toxic if inhaled84.6% of notifiers
- H332 Harmful if inhaled12.8% of notifiers
- H335 May cause respiratory irritation13.8% of notifiers
Aggregated from 1,774 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, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
108-99-6SMILES
Cc1cccnc1InChIKey
ITQTTZVARXURQS-UHFFFAOYSA-NInChI
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Pyridine, 3-methyl-
- 3-Picoline
- β-Picoline
- β-Methylpyridine
- m-Picoline
- m-Methylpyridine
- NSC 18251
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 108-99-6. Each row opens the sheet with its composition and PDF.
Work with 3-Methylpyridine
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-Phenylpyridine1008-88-450 % similar
3-Chloropyridine626-60-850 % similar
4-Methylpyridazine1120-88-346 % similar
3-Fluoropyridine372-47-446 % similar
5-Methylpyrimidine2036-41-145 % similar
3,5-Lutidine591-22-045 % similar
Toluene108-88-345 % similar
N-Methyl-3-pyridinamine18364-47-144 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds