Methyl 5-formylpyridine-2-carboxylate

C8H7NO3CAS 55876-91-0165.15 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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
55876-91-0
SMILES
COC(=O)C1=NC=C(C=C1)C=O
InChIKey
QOWOSLFJHTVONJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-12-8(11)7-3-2-6(5-10)4-9-7/h2-5H,1H3

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Names and synonyms

1 names
  • Methyl 5-formylpicolinate

Work with Methyl 5-formylpyridine-2-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

Dimethyl pyridine-2,5-dicarboxylate881-86-761 % similar Methyl 4-formylbenzoate1571-08-058 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-458 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-358 % similar Methyl 5-hydroxypyridine-2-carboxylate30766-12-258 % similar Methyl picolinate2459-07-650 % similar 6-Methoxypyridine-3-carbaldehyde65873-72-550 % similar Methyl 4-formyl-2-methylbenzoate74733-23-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6

Elsewhere

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