2-Methylpyridine

C₆H₇NCAS 1333-41-193.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇N
Molar mass: 93.13 g/mol
Exact mass: 93.0578 Da
Density: 0.95 g/mL
Melting point: −70 °C
Boiling point: 196 °C (at 2 Torr)
pKa: 5.96 (20 °C)
Flash point: 26 °C (closed cup)
Water solubility: miscible (20 °C)
logP: 1.39Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
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 613-036-00-2), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1333-41-1

SMILES

CC1=CC=CC=N1

InChIKey

BSKHPKMHTQYZBB-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Methylpyridine
Pyridine, methyl-
Picoline

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methylpyridine109-06-8

Similar compounds

2,6-Lutidine108-48-548 % similar 2,2'-Bipyridine366-18-748 % similar 4-Fluoro-2-methylpyridine766-16-546 % similar 3-Methylpyridazine1632-76-446 % similar 4-Methylpyrimidine3438-46-846 % similar 2,4-Lutidine108-47-444 % similar 2-(4-Methylphenyl)pyridine4467-06-543 % similar 2-Methyl-1,5-naphthyridine7675-32-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylpyridine108-89-4 3-Methylpyridine108-99-6 5-Hexynenitrile14918-21-9 3-Methylenecyclobutanecarbonitrile15760-35-7 Polyaniline25233-30-1 Benzen-2,3,4,5,6-d5-amine4165-61-1 Aniline62-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook