chempirical

Picolinic acid

C6H5NO2CAS 98-98-6123.11 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C6H5NO2
Molar mass
123.11 g/mol
Exact mass
123.0320 Da
Density
1.49 g/mL
Melting point
136.5 °C
Boiling point
115 °C (at 5 Torr)
logP
0.78Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
98-98-6
SMILES
O=C(O)c1ccccn1
InChIKey
SIOXPEMLGUPBBT-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 2-Pyridinecarboxylic acid
  • o-Pyridinecarboxylic acid
  • 2-Carboxypyridine
  • α-Pyridinecarboxylic acid
  • 2-Pyridylcarboxylic acid
  • NSC 171
  • PCL 016
  • Pyridine-2-carboxylic acid

Work with Picolinic 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-Pyridyl ketone19437-26-459 % similar 2,2′-Pyridil492-73-959 % similar Dipicolinic acid499-83-259 % similar 4-Pyrimidinecarboxylic acid31462-59-657 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-456 % similar Lutidinic acid499-80-955 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-753 % similar 2-Acetylpyridine1122-62-953 % similar

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

Same formula

4-Nitrosophenol104-91-6 6-Oxo-1,6-dihydropyridine-3-carboxaldehyde106984-91-2 3-Hydroxyisonicotinaldehyde1849-54-3 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-4 Nitrobenzene-D54165-60-0 Isonicotinic acid55-22-1 Niacin59-67-6 Nitrobenzene98-95-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia