2-Bromo-isonicotinic acid methyl ester

C7H6BrNO2CAS 26156-48-9216.03 g/mol

Open in Covalent MOL file
OONBr
Aryl halideEster

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
logP
1.63Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
26156-48-9
SMILES
COC(=O)C1=CC(=NC=C1)Br
InChIKey
MULLTHQTADMZDM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3

Weigh it out

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Work with 2-Bromo-isonicotinic acid methyl ester

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-chloroisonicotinate58481-11-162 % similar Methyl 2-aminopyridine-4-carboxylate6937-03-762 % similar Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate330680-46-161 % similar Methyl 2-acetylpyridine-4-carboxylate138715-82-959 % similar Methyl 2-cyanopyridine-4-carboxylate94413-64-657 % similar Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-756 % similar Methyl isonicotinate2459-09-856 % similar 2-Bromoisonicotinamide29840-73-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 Methyl 6-bromopyridine-3-carboxylate26218-78-0

Elsewhere

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