2-Chloro-4-pyridinecarboxaldehyde

C₆H₄ClNOCAS 101066-61-9141.55 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄ClNO
Molar mass: 141.55 g/mol
Exact mass: 140.9981 Da
logP: 1.55Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

101066-61-9

SMILES

C1=CN=C(C=C1C=O)Cl

InChIKey

UFPOSTQMFOYHJI-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Chloroisonicotinaldehyde

Work with 2-Chloro-4-pyridinecarboxaldehyde

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

2,6-Dichloropyridine-4-carboxaldehyde113293-70-257 % similar 2-Bromo-4-pyridinecarboxaldehyde118289-17-155 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-849 % similar 2,4-Dichloropyridine26452-80-248 % similar Isophthalaldehyde626-19-748 % similar Pyridine-4-carbaldehyde872-85-546 % similar 4-Amino-2-chloropyridine14432-12-345 % similar

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

Same formula

4-Chloropyridine-3-carboxaldehyde114077-82-6

Elsewhere

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