chempirical

2-Chloro-3-pyridinecarboxaldehyde

C6H4ClNOCAS 36404-88-3141.55 g/mol

Open in Covalent MOL file
NClO
AldehydeAryl 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 Ų
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
36404-88-3
SMILES
C1=CC(=C(N=C1)Cl)C=O
InChIKey
KHPAGGHFIDLUMB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H

Weigh it out

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

Work with 2-Chloro-3-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

8-Quinolinecarboxaldehyde38707-70-958 % similar 2,3-Dichloropyridine-4-carboxaldehyde884495-41-458 % similar Quinoline-5-carboxaldehyde22934-41-456 % similar 2-Bromonicotinaldehyde128071-75-055 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-755 % similar 2-Methylpyridine-3-carbaldehyde60032-57-755 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-755 % similar 2-Chloro-3-fluoro-4-formylpyridine329794-28-755 % 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 6-Chloropyridine-2-carbaldehyde54087-03-5 4-Chloropicolinaldehyde63071-13-6 3-Chloro-4-pyridinecarboxaldehyde72990-37-5

Elsewhere

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