Methyl 2-bromo-6-methyl-4-pyridinecarboxylate

C8H8BrNO2CAS 884494-71-7230.06 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
1.94Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
884494-71-7
SMILES
COC(=O)c1cc(C)nc(Br)c1
InChIKey
HTGDXQVCBISJRX-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3

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Names and synonyms

4 names
  • 4-Pyridinecarboxylic acid, 2-bromo-6-methyl-, methyl ester
  • 2-Bromo-6-methylisonicotinic acid methyl ester
  • Methyl 2-bromo-6-methylisonicotinate
  • Methyl 2-bromo-6-methylpyridine-4-carboxylate

Work with Methyl 2-bromo-6-methyl-4-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

Methyl 2-Chloro-6-methylisonicotinate3998-90-163 % similar Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate562086-30-057 % similar 2-Bromo-isonicotinic acid methyl ester26156-48-956 % similar Methyl 3,5-dibromobenzoate51329-15-854 % similar Dimethyl 5-bromoisophthalate51760-21-554 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-453 % similar Methyl 3,5-dibromo-4-methylbenzoate74896-66-553 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-650 % 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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