Methyl 6-amino-5-bromopicolinate

C₇H₇BrN₂O₂CAS 178876-82-9231.05 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₇H₇BrN₂O₂
Molar mass: 231.05 g/mol
Exact mass: 229.9691 Da
logP: 1.21Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

178876-82-9

SMILES

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

InChIKey

OQUCMNQHZFOMPC-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrN2O2/c1-12-7(11)5-3-2-4(8)6(9)10-5/h2-3H,1H3,(H2,9,10)

Weigh it out

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

Work with Methyl 6-amino-5-bromopicolinate

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-853 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-753 % similar 6-Aminopicolinic acid methyl ester36052-26-353 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-349 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-549 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-649 % similar Methyl 3-amino-6-bromopyrazine-2-carboxylate6966-01-448 % similar Methyl 4-amino-3-bromobenzoate106896-49-547 % similar

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

Same formula

2-Bromo-6-methyl-4-nitroaniline102170-56-9 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-0 2-Bromo-4-methyl-6-nitrobenzenamine827-24-7 4-Bromo-5-methyl-2-nitroaniline827-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook