chempirical

2-Methoxynicotinic acid

C7H7NO3CAS 16498-81-0153.14 g/mol

Open in Covalent MOL file
ONOOH
Carboxylic acidEther

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
144–146 °C
logP
0.79Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
16498-81-0
SMILES
COc1ncccc1C(=O)O
InChIKey
FTEZJSXSARPZHJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)

Weigh it out

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Names and synonyms

3 names
  • 3-Pyridinecarboxylic acid, 2-methoxy-
  • Nicotinic acid, 2-methoxy-
  • 2-Methoxy-3-pyridinecarboxylic acid

Work with 2-Methoxynicotinic acid

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

2-Ethoxynicotinic acid35969-54-168 % similar 2-Phenoxynicotinic acid35620-71-465 % similar 2-Methylnicotinic acid3222-56-865 % similar 3-Amino-2-methoxy-4-pyridinecarboxylic acid870997-81-263 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-663 % similar 2-Hydroxynicotinic acid609-71-262 % similar Quinolinic acid339155-13-459 % similar Quinolinic acid89-00-959 % similar

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

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 4-Methyl-3-nitrophenol2042-14-0 4-Amino-3-hydroxybenzoic acid2374-03-0

Elsewhere

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