Phenyl 3-pyridinecarboxylate
Properties
- Molecular formula
- C12H9NO2
- Molar mass
- 199.21 g/mol
- Exact mass
- 199.0633 Da
- Melting point
- 59 °C
- Boiling point
- 166.5 °C (at 9 Torr)
- logP
- 2.30Crippen estimate
- Polar surface area
- 39.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation11.4% of notifiers
- H318 Causes serious eye damage100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364
Identifiers
CAS number
3468-53-9SMILES
O=C(Oc1ccccc1)c1cccnc1InChIKey
QEJPOSAIULNDLU-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 3-Pyridinecarboxylic acid, phenyl ester
- Nicotinic acid, phenyl ester
- Phenyl nicotinate
- NSC 75878
Work with Phenyl 3-pyridinecarboxylate
Similar compounds
Phenyl benzoate93-99-267 % similar
Nicotinic anhydride16837-38-066 % similar
1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-461 % similar
Diphenyl isophthalate744-45-661 % similar
Benzyl nicotinate94-44-061 % similar
Inositol nicotinate6556-11-260 % similar
Methyl nicotinate93-60-760 % similar
Phenyl-3-pyridinylmethanone5424-19-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.