4-Chloro-1H-pyrrolo[2,3-B]pyridine-5-carbaldehyde

C₈H₅ClN₂OCAS 958230-19-8180.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₅ClN₂O
Molar mass: 180.59 g/mol
Exact mass: 180.0090 Da
logP: 2.03Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 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

958230-19-8

SMILES

C1=CNC2=NC=C(C(=C21)Cl)C=O

InChIKey

SVRMXFJXIGCKII-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2O/c9-7-5(4-12)3-11-8-6(7)1-2-10-8/h1-4H,(H,10,11)

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Work with 4-Chloro-1H-pyrrolo[2,3-B]pyridine-5-carbaldehyde

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

1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-658 % similar 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-550 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-5-carboxylic acid920966-03-650 % similar Indole-4-carboxaldehyde1074-86-845 % similar 4-Chloro-7-azaindole55052-28-342 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-442 % similar 7-Azaindole-3-carboxaldehyde4649-09-641 % similar 2,3-Dichloropyridine-4-carboxaldehyde884495-41-441 % similar

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

Same formula

6-Chloro-2(1H)-quinoxalinone2427-71-6 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-9

Elsewhere

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