4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

C₇H₃ClN₄CAS 24391-41-1178.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃ClN₄
Molar mass: 178.58 g/mol
Exact mass: 178.0046 Da
logP: 1.48Crippen estimate
Polar surface area: 65.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

24391-41-1

SMILES

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

InChIKey

NEWCOPCSNFUQQY-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClN4/c8-6-5-4(1-9)2-10-7(5)12-3-11-6/h2-3H,(H,10,11,12)

Weigh it out

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

Names and synonyms

1 names

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

Work with 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

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-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-5-phenyl-7H-pyrrolo[2,3-D]pyrimidine208459-81-853 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-850 % similar 4,6-Dichloropyrimidine-5-carbonitrile5305-45-347 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook