2-Phenoxynicotinic acid

C₁₂H₉NO₃CAS 35620-71-4215.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₉NO₃
Molar mass: 215.21 g/mol
Exact mass: 215.0582 Da
Melting point: 179–180 °C
logP: 2.57Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

35620-71-4

SMILES

O=C(O)c1cccnc1Oc1ccccc1

InChIKey

CQGAXJGXGLVFGJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)

Weigh it out

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

Names and synonyms

3 names

3-Pyridinecarboxylic acid, 2-phenoxy-
2-Phenoxy-3-pyridinecarboxylic acid
3-Carboxy-2-phenoxypyridine

Work with 2-Phenoxynicotinic 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-Methoxynicotinic acid16498-81-065 % similar 2-Phenoxybenzoic acid2243-42-759 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-558 % similar 2-Methylnicotinic acid3222-56-855 % similar Quinolinic acid89-00-954 % similar 2-Hydroxynicotinic acid609-71-253 % similar 2-(Phenylthio)-3-pyridinecarboxylic acid35620-72-552 % similar 4-Phenoxybenzoic acid2215-77-251 % similar

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

Same formula

N-(4-Acetylphenyl)maleimide1082-85-5 3-Cyano-7-ethoxycoumarin117620-77-6 2-Nitrodiphenyl ether2216-12-8 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-7 Naphthalamic acid5811-88-1 1-Nitro-4-phenoxybenzene620-88-2 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

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