Ethyl 2-bromonicotinate

C8H8BrNO2CAS 53087-78-8230.06 g/mol

Open in Covalent MOL file
OONBr
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53087-78-8
SMILES
CCOC(=O)C1=C(N=CC=C1)Br
InChIKey
QOFKYVXBHUEWBX-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 2-Bromonicotinic acid ethyl ester

Work with Ethyl 2-bromonicotinate

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

Ethyl 2-methyl-3-pyridinecarboxylate1721-26-267 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-366 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-065 % similar Ethyl chloronicotinate1452-94-465 % similar Ethyl 2-bromobenzoate6091-64-161 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-560 % similar Diethyl phthalate84-66-260 % similar Ethyl 2-pyridinecarboxylate2524-52-955 % 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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