chempirical

4-Chloropyridine-3-carboxaldehyde

C6H4ClNOCAS 114077-82-6141.55 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

Identifiers

CAS number
114077-82-6
SMILES
C1=CN=CC(=C1Cl)C=O
InChIKey
DYRMBQRXOMOMNW-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO/c7-6-1-2-8-3-5(6)4-9/h1-4H

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Names and synonyms

1 names
  • 4-Chloropyridine-3-carbaldehyde

Work with 4-Chloropyridine-3-carboxaldehyde

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-Chlorobenzaldehyde89-98-552 % similar 3-Hydroxyisonicotinaldehyde1849-54-350 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-248 % similar 2,5-Dichlorobenzaldehyde6361-23-547 % similar 4-Chloro-3-pyridinamine20511-15-345 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-344 % similar 2,3-Dichlorobenzaldehyde6334-18-544 % similar 4-Chloro-3-nitropyridine13091-23-143 % similar

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

Same formula

2-Chloro-4-pyridinecarboxaldehyde101066-61-9

Elsewhere

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