Methyl 6-formylpyridine-3-carboxylate

C₈H₇NO₃CAS 10165-86-3165.15 g/mol

Open in Covalent MOL file

Aldehyde Ester

Properties

Molecular formula: C₈H₇NO₃
Molar mass: 165.15 g/mol
Exact mass: 165.0426 Da
logP: 0.68Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

Dimethyl pyridine-2,5-dicarboxylate881-86-761 % similar Methyl 6-methylnicotinate5470-70-259 % similar Methyl 4-formylbenzoate1571-08-058 % similar 6-Fluoronicotinic acid methyl ester1427-06-158 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-058 % similar Methyl 6-methoxynicotinate26218-80-458 % similar Methyl 6-aminonicotinate36052-24-158 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

P-Nitroacetophenone100-19-6 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 4-Methyl-3-nitrobenzaldehyde31680-07-6

Elsewhere

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