chempirical

3-Chloropyridine-2-carboxylic acid

C6H4ClNO2CAS 57266-69-0157.55 g/mol

Open in Covalent MOL file
NOOHCl
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
57266-69-0
SMILES
C1=CC(=C(N=C1)C(=O)O)Cl
InChIKey
XTMUXJBJCMRWPG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)

Weigh it out

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Work with 3-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

Quinolinic acid339155-13-463 % similar Quinolinic acid89-00-963 % similar 3-Bromopyridine-2-carboxylic acid30683-23-961 % similar 3-Hydroxypicolinic acid874-24-861 % similar 3-Aminopicolinic acid1462-86-859 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-359 % similar 3-Methylpicolinic acid4021-07-259 % similar 3,5-Dichloro-2-pyridinecarboxylic acid81719-53-157 % 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 4-Chloropyridine-2-carboxylic acid5470-22-4

Elsewhere

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