chempirical

2-Phenyl-3-pyridinecarboxylic acid

C12H9NO2CAS 33421-39-5199.21 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Melting point
168–169 °C
logP
2.45Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
33421-39-5
SMILES
O=C(O)c1cccnc1-c1ccccc1
InChIKey
VLQVAEFYIADOKI-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-12(15)10-7-4-8-13-11(10)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

5 names
  • 3-Pyridinecarboxylic acid, 2-phenyl-
  • Nicotinic acid, 2-phenyl-
  • 2-Phenylnicotinic acid
  • NSC 127178
  • NSC 127179

Work with 2-Phenyl-3-pyridinecarboxylic 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

Quinolinic acid89-00-961 % similar 2-Hydroxynicotinic acid609-71-259 % similar 2-Phenoxynicotinic acid35620-71-458 % similar 2-(Phenylthio)-3-pyridinecarboxylic acid35620-72-558 % similar 1-Biphenyl-2-carboxylic acid947-84-258 % similar 2-Chloronicotinic acid2942-59-857 % similar 2-Methylnicotinic acid3222-56-857 % similar 2-Mercaptonicotinic acid38521-46-957 % similar

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

Same formula

3-Nitrobiphenyl2113-58-8 Phenyl 3-pyridinecarboxylate3468-53-9 4-(4-Pyridyl)benzoic acid4385-76-6 Dictamnine484-29-7 Indophenol500-85-6 5-Nitroacenaphthene602-87-9 2-Nitrobiphenyl86-00-0 4-Nitro-1,1′-biphenyl92-93-3

Elsewhere

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