Ethyl 5-bromopicolinate

C₈H₈BrNO₂CAS 77199-09-8230.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₈BrNO₂
Molar mass: 230.06 g/mol
Exact mass: 228.9738 Da
logP: 2.02Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

77199-09-8

SMILES

CCOC(=O)C1=NC=C(C=C1)Br

InChIKey

MVJPVDSRSXLJNQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-pyridinecarboxylic acid ethyl ester

Work with Ethyl 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

2,5-Pyridinedicarboxylic acid diethyl ester5552-44-368 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-365 % similar Ethyl 4-bromobenzoate5798-75-459 % similar 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester67625-37-059 % similar Ethyl 2-pyridinecarboxylate2524-52-956 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-056 % similar Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate372198-69-156 % similar Ethyl pyrimidine-4-carboxylate62846-82-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Ethyl 3-bromopyridine-4-carboxylate13959-01-8 2-Amino-5-bromo-3-methylbenzoic acid206548-13-2 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5

Elsewhere

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