Methyl 6-bromopyridine-3-carboxylate

C7H6BrNO2CAS 26218-78-0216.03 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
26218-78-0
SMILES
COC(=O)C1=CN=C(C=C1)Br
InChIKey
NFLROFLPSNZIAH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Methyl 6-bromonicotinate

Work with Methyl 6-bromopyridine-3-carboxylate

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 pyridine-2,5-dicarboxylate881-86-765 % similar Methyl 6-methylnicotinate5470-70-263 % similar 6-Fluoronicotinic acid methyl ester1427-06-161 % similar Methyl 6-methoxynicotinate26218-80-461 % similar Methyl 6-aminonicotinate36052-24-161 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-661 % similar Methyl 6-(bromomethyl)nicotinate131803-48-061 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-358 % 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

PubChem CAS Common Chemistry NIST WebBook