Methyl 2-methylnicotinate

C8H9NO2CAS 65719-09-7151.16 g/mol

Open in Covalent MOL file
NOO
Ester

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
logP
1.18Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
65719-09-7
SMILES
CC1=C(C=CC=N1)C(=O)OC
InChIKey
KLHWBYHFWALOIJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3

Weigh it out

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Work with Methyl 2-methylnicotinate

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

Similar compounds

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-968 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-265 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-164 % similar Methyl 2-chloronicotinate40134-18-764 % similar 2-Fluoronicotinic acid methyl ester446-26-464 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-364 % similar 2-Cyano-3-pyridinecarboxylic acid methyl ester75358-89-359 % similar Dimethyl phthalate131-11-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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