chempirical

Methyl 6-(bromomethyl)nicotinate

C8H8BrNO2CAS 131803-48-0230.06 g/mol

Open in Covalent MOL file
OONBr
Alkyl halideEster

Properties

Molecular formula
C8H8BrNO2
Molar mass
230.06 g/mol
Exact mass
228.9738 Da
logP
1.76Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
131803-48-0
SMILES
COC(=O)C1=CN=C(C=C1)CBr
InChIKey
IRQSKJQDKUAART-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,4H2,1H3

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Names and synonyms

1 names
  • 6-Bromomethyl-nicotinic acid methyl ester

Work with Methyl 6-(bromomethyl)nicotinate

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 4-(bromomethyl)benzoate2417-72-359 % similar Methyl 6-methylnicotinate5470-70-258 % similar Methyl 6-methoxynicotinate26218-80-456 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-354 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-252 % similar Dimethyl terephthalate120-61-652 % similar Methyl 3-(bromomethyl)benzoate1129-28-850 % similar Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-750 % 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 2-amino-4-bromobenzoate135484-83-2 Methyl 2-amino-5-bromobenzoate52727-57-8 4-Nitrophenethyl bromide5339-26-4 Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-7

Elsewhere

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