4-Methylpyridine
Properties
- Molecular formula
- C6H7N
- Molar mass
- 93.13 g/mol
- Exact mass
- 93.0578 Da
- Density
- 0.9548 g/mL (at 20 °C)
- Melting point
- 3.66 °C
- Boiling point
- 145 °C
- pKa
- 5.98
- Flash point
- 39 °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 vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 613-037-00-8), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
108-89-4SMILES
Cc1ccncc1InChIKey
FKNQCJSGGFJEIZ-UHFFFAOYSA-NInChI
InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Pyridine, 4-methyl-
- 4-Picoline
- γ-Picoline
- Ba 35846
- p-Methylpyridine
- p-Picoline
- γ-Methylpyridine
- NSC 18252
Work with 4-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
P-Xylene106-42-353 % similar
4-Methylpyridazine1120-88-348 % similar
4,4′-Dithiodipyridine2645-22-947 % similar
Toluene108-88-347 % similar
4,4′-Bipyridine553-26-447 % similar
4,4′-Dimethyl-2,2′-bipyridine1134-35-645 % similar
4-Methylbenzenethiol106-45-645 % similar
1,4-Bis(pyrid-4-yl)benzene113682-56-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds