chempirical

4-Pyridin-3-yl-benzoic acid

C12H9NO2CAS 4385-75-5199.21 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4385-75-5
SMILES
C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)O
InChIKey
GYUKEVKPDRXPAB-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-8H,(H,14,15)

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Work with 4-Pyridin-3-yl-benzoic 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

Niacin59-67-666 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-265 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-462 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-262 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-256 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-256 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-156 % similar Isonicotinic acid55-22-153 % similar

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

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 6-Phenylpyridine-2-carboxylic acid39774-28-2 4-(2-Pyridyl)benzoic acid4385-62-0 4-(4-Pyridyl)benzoic acid4385-76-6 3-(Pyridin-3-yl)benzoic acid4385-77-7 Dictamnine484-29-7

Elsewhere

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