4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde

C₇H₄ClN₃OCAS 908287-21-8181.58 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄ClN₃O
Molar mass: 181.58 g/mol
Exact mass: 181.0043 Da
logP: 1.42Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 1 / 3
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

908287-21-8

SMILES

C1=C(C2=C(N1)N=CN=C2Cl)C=O

InChIKey

SEGITDCEHFAQNG-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClN3O/c8-6-5-4(2-12)1-9-7(5)11-3-10-6/h1-3H,(H,9,10,11)

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Work with 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-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

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-857 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-956 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-754 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-654 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-554 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-650 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-150 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-149 % similar

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

Elsewhere

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