Methyl 2-Chloro-6-methylisonicotinate

C₈H₈ClNO₂CAS 3998-90-1185.61 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
logP: 1.83Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction93% of notifiers
H318 Causes serious eye damage93% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3998-90-1

SMILES

CC1=CC(=CC(=N1)Cl)C(=O)OC

InChIKey

BDWMGYZSQKGUFA-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

Methyl 2-chloro-6-methylpyridine-4-carboxylate

Work with Methyl 2-Chloro-6-methylisonicotinate

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

Methyl 2,6-dichloroisonicotinate42521-09-578 % similar Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-763 % similar Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate562086-30-061 % similar 2-Chloro-6-methylpyridine-4-carbonyl chloride26413-58-159 % similar 2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-558 % similar Methyl 6-chloropyridazine-4-carboxylate1093860-48-056 % similar Methyl 2-chloroisonicotinate58481-11-156 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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