Methyl 3-amino-2-chloroisonicotinate

C₇H₇ClN₂O₂CAS 173435-41-1186.59 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
logP: 1.10Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

173435-41-1

SMILES

COC(=O)C1=C(C(=NC=C1)Cl)N

InChIKey

KSZMBXHYSQDICN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,9H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Amino-2-chloro-isonicotinic acid methyl ester

Work with Methyl 3-amino-2-chloroisonicotinate

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-chloronicotinate40134-18-763 % similar Methyl 2-amino-3-chlorobenzoate77820-58-756 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-455 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-754 % similar 2-Carbomethoxy-6-methylaniline22223-49-053 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-151 % similar Methyl 4-aminopyridine-3-carboxylate16135-36-751 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-651 % similar

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

Same formula

5-Chloro-2-methyl-4-nitrobenzenamine13852-51-2 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-4

Elsewhere

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