2-Phenoxynicotinic acid

C12H9NO3CAS 35620-71-4215.21 g/mol

Open in Covalent MOL file
OHONO
Carboxylic acidEther

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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
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-(4-Chlorophenoxy)nicotinic acid51362-37-974 % similar 2-Methoxynicotinic acid16498-81-065 % similar 2-Phenoxybenzoic acid2243-42-759 % similar 2-Ethoxynicotinic acid35969-54-159 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-558 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-657 % similar 2-Methylnicotinic acid3222-56-855 % similar Quinolinic acid339155-13-454 % 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-Hydroxy-4'-nitrobiphenyl3916-44-7 Naphthalamic acid5811-88-1 1-Nitro-4-phenoxybenzene620-88-2 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook