chempirical

Methyl 6-formylpyridine-3-carboxylate

C8H7NO3CAS 10165-86-3165.15 g/mol

Open in Covalent MOL file
OONO
AldehydeEster

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
logP
0.68Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
10165-86-3
SMILES
COC(=O)C1=CN=C(C=C1)C=O
InChIKey
BZOWIADSJYMJJJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-5H,1H3

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Names and synonyms

1 names
  • Methyl 6-formylnicotinate

Work with Methyl 6-formylpyridine-3-carboxylate

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 6-methylnicotinate5470-70-259 % similar Methyl 4-formylbenzoate1571-08-058 % similar Methyl 6-methoxynicotinate26218-80-458 % similar Methyl 6-(bromomethyl)nicotinate131803-48-054 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-254 % similar Dimethyl terephthalate120-61-653 % similar Methyl 3-formyl-4-hydroxybenzoate24589-99-949 % similar Methyl nicotinate93-60-749 % similar

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

Same formula

P-Nitroacetophenone100-19-6 3′-Nitroacetophenone121-89-1 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 4-Methyl-3-nitrobenzaldehyde31680-07-6 Coixol532-91-2 2′-Nitroacetophenone577-59-3 4-(Aminocarbonyl)benzoic acid6051-43-0 Phthalamic acid88-97-1

Elsewhere

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