3-Chloro-4-pyridinecarboxaldehyde

C₆H₄ClNOCAS 72990-37-5141.55 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

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

72990-37-5

SMILES

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

InChIKey

ZVGDKOQPJCOCLI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Chloroisonicotinaldehyde

Work with 3-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

3,5-Dichloro-4-formyl pyridine136590-83-557 % similar 3-Hydroxyisonicotinaldehyde1849-54-355 % similar 3-Fluoroisonicotinaldehyde40273-47-055 % similar 3-Amino-pyridine-4-carbaldehyde55279-29-355 % similar 3-Bromo-4-formylpyridine70201-43-355 % similar 3-Methyl-4-pyridinecarboxaldehyde74663-96-055 % similar 3,4-Dichloropyridine55934-00-452 % similar 2-Chlorobenzaldehyde89-98-552 % similar

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

Same formula

2-Chloro-4-pyridinecarboxaldehyde101066-61-9 4-Chloropyridine-3-carboxaldehyde114077-82-6 2-Chloropyridine-5-carbaldehyde23100-12-1 5-Chloropyridine-2-carboxaldehyde31181-89-2 2-Chloro-3-pyridinecarboxaldehyde36404-88-3 6-Chloropyridine-2-carbaldehyde54087-03-5 4-Chloropicolinaldehyde63071-13-6

Elsewhere

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