Methyl 3-bromoisonicotinate

C7H6BrNO2CAS 59786-31-1216.03 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 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59786-31-1
SMILES
COC(=O)C1=C(C=NC=C1)Br
InChIKey
FASOJOLGUAUEPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Bromoisonicotinic acid methyl ester

Work with Methyl 3-bromoisonicotinate

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

Ethyl 3-bromopyridine-4-carboxylate13959-01-866 % similar Methyl 4-aminopyridine-3-carboxylate16135-36-762 % similar 3-Iodoisonicotinic acid methyl ester188677-49-862 % similar 3-Amino-isonicotinic acid methyl ester55279-30-662 % similar Methyl 2-bromobenzoate610-94-662 % similar 1-(3-Bromopyridin-4-yl)ethanone111043-06-258 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-255 % similar 3-Bromoisonicotinic acid13959-02-954 % 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 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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