5-Ethyl-2-methylpyridine

C₈H₁₁NCAS 104-90-5121.18 g/mol

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Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Density: 0.9184 g/mL (at 23 °C)
Melting point: −70.9 °C
Boiling point: 177.8 °C (at 747 Torr)
pKa: 6.51 (conjugate acid)
Flash point: 68 °C (open cup)
Water solubility: 12 g/L
logP: 1.95Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed> 99.9% of notifiers
H311+H331 Toxic in contact with skin or if inhaled.10.8% of notifiers
H311 Toxic in contact with skin99.6% of notifiers
H314 Causes severe skin burns and eye damage89.4% of notifiers
H315 Causes skin irritation10.6% of notifiers
H317 May cause an allergic skin reaction82.9% of notifiers
H319 Causes serious eye irritation10.6% of notifiers
H331 Toxic if inhaled89% of notifiers
H412 Harmful to aquatic life with long lasting effects76.6% of notifiers

Aggregated from 1,711 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

104-90-5

SMILES

CCc1ccc(C)nc1

InChIKey

NTSLROIKFLNUIJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3

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

Names and synonyms

11 names

Pyridine, 5-ethyl-2-methyl-
2-Picoline, 5-ethyl-
Aldehydine
5-Ethyl-α-picoline
5-Ethyl-2-picoline
2-Methyl-5-ethylpyridine
6-Methyl-3-ethylpyridine
3-Ethyl-6-methylpyridine
Aldehydecollidine
Collidine, aldehydecollidine
NSC 1984

Reactions

5-Ethyl-2-methylpyridine (2-Picoline, 5-ethyl-)product

Work with 5-Ethyl-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.

5-Ethyl-2-methylpyridine borane1006873-58-0Salt

Similar compounds

(6-Methylpyridin-3-yl)methanol34107-46-561 % similar 2-Ethenyl-5-ethylpyridine5408-74-250 % similar 5-Ethyl-2-pyridineethanol5223-06-348 % similar 2-Ethyl-5-methylpyrazine13360-64-048 % similar 2,5-Dimethylpyridine589-93-548 % similar 1,4-Diethylbenzene105-05-548 % similar 2-Chloro-5-ethylpyrimidine111196-81-746 % similar 5-Ethylpicolinic acid770-08-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2 Dimethylaniline121-69-7

Elsewhere

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