Methyl 6-bromo-2-pyridinecarboxylate

C7H6BrNO2CAS 26218-75-7216.03 g/mol

Open in Covalent MOL file
OOBrN
Aryl halideEster

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
93–94 °C
logP
1.63Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26218-75-7
SMILES
COC(=O)c1cccc(Br)n1
InChIKey
SGNCOKUHMXLGAH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Pyridinecarboxylic acid, 6-bromo-, methyl ester
  • Picolinic acid, 6-bromo-, methyl ester
  • Methyl 2-bromopyridine-6-carboxylate
  • Methyl 6-bromopicolinate
  • 6-Bromopyridine-2-carboxylic acid methyl ester
  • Methyl 6-bromopyridine-2-carboxylate
  • 6-Bromopicolinic acid methyl ester

Work with Methyl 6-bromo-2-pyridinecarboxylate

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-pyridinedicarboxylate5453-67-873 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-567 % similar Ethyl 6-bromopicolinate21190-88-565 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-463 % similar Methyl 6-chloropicolinate6636-55-163 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-461 % similar 6-Aminopicolinic acid methyl ester36052-26-361 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-061 % 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-bromopyridine-3-carboxylate26218-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook