5-Chloro-2-hydroxynicotinic acid

C₆H₄ClNO₃CAS 38076-80-1173.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄ClNO₃
Molar mass: 173.55 g/mol
Exact mass: 172.9880 Da
logP: 0.73Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 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

38076-80-1

SMILES

C1=C(C(=O)NC=C1Cl)C(=O)O

InChIKey

XBHXNMLFJZTSAS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)

Weigh it out

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Work with 5-Chloro-2-hydroxynicotinic 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-Hydroxy-5-nitronicotinic acid6854-07-554 % similar 4-Chlorophthalic acid89-20-351 % similar 5-Chlorosalicylic acid321-14-251 % similar 2,5-Dichlorobenzoic acid50-79-350 % similar 5-Chloroindole-3-carboxylic acid10406-05-049 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-948 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-548 % similar 2,3,5-Trichlorobenzoic acid50-73-747 % similar

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

Same formula

2-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid38025-90-0 5-Chloro-6-hydroxy-3-pyridinecarboxylic acid54127-63-8 2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 Nitrofungin619-08-9 2-Chloro-5-nitrophenol619-10-3 4-Chloro-2-nitrophenol89-64-5

Elsewhere

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