Ethyl 6-bromopicolinate

C₈H₈BrNO₂CAS 21190-88-5230.06 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 swallowed40% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21190-88-5

SMILES

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

InChIKey

OONBOXSIWCBAHZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Bromopyridine-2-carboxylic acid ethyl ester

Work with Ethyl 6-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

Diethyl 2,6-pyridinedicarboxylate15658-60-376 % similar Ethyl 6-chloropicolinate21190-89-666 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-765 % similar Ethyl 2-pyridinecarboxylate2524-52-956 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-954 % similar 2-Acetyl-6-bromopyridine49669-13-853 % similar Ethyl 2-bromo-1,3-oxazole-4-carboxylate460081-20-352 % similar Ethyl 3-bromobenzoate24398-88-751 % 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 Methyl 5-bromo-3-methylpicolinate213771-32-5

Elsewhere

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