chempirical

4-Chloropyridine-2-carboxylic acid

C6H4ClNO2CAS 5470-22-4157.55 g/mol

Open in Covalent MOL file
NClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4ClNO2
Molar mass
157.55 g/mol
Exact mass
156.9931 Da
logP
1.43Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
5470-22-4
SMILES
C1=CN=C(C=C1Cl)C(=O)O
InChIKey
NNMYRMGMVLMQAY-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)

Weigh it out

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Work with 4-Chloropyridine-2-carboxylic 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

Lutidinic acid499-80-963 % similar 4-Chloro-2,6-pyridinedicarboxylic Acid4722-94-561 % similar 4-Aminopicolinic acid100047-36-759 % similar 4-Bromopyridine-2-carboxylic acid30766-03-159 % similar 4-Methylpyridine-2-carboxylic acid4021-08-359 % similar 4-Iodopyridine-2-carboxylic acid405939-79-959 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-459 % similar 2-Chloropyrimidine-4-carboxylic acid149849-92-356 % similar

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

Same formula

4-Nitrochlorobenzene100-00-5 4-Chloronicotinic acid10177-29-4 3-Nitrochlorobenzene121-73-3 5-Chloronicotinic acid22620-27-5 2-Chloronicotinic acid2942-59-8 6-Chloropicolinic acid4684-94-0 6-Chloronicotinic acid5326-23-8 3-Chloropyridine-2-carboxylic acid57266-69-0

Elsewhere

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