chempirical

Methyl isonicotinate

C7H7NO2CAS 2459-09-8137.14 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
16.1 °C
Boiling point
208 °C
logP
0.87Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2459-09-8
SMILES
COC(=O)c1ccncc1
InChIKey
OLXYLDUSSBULGU-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 4-Pyridinecarboxylic acid, methyl ester
  • Isonicotinic acid, methyl ester
  • Methyl 4-pyridinecarboxylate
  • 4-Methoxycarbonylpyridine
  • 4-Carbomethoxypyridine
  • NSC 18257

Work with Methyl isonicotinate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl terephthalate120-61-671 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-563 % similar Methyl benzoate93-58-363 % similar Methyl nicotinate93-60-761 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-359 % similar Methyl P-toluate99-75-259 % similar Ethyl isonicotinate1570-45-258 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9 4-Methylnicotinic acid3222-50-2

Elsewhere

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