4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine

C₆H₃ClIN₃CAS 876343-10-1279.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃ClIN₃
Molar mass: 279.47 g/mol
Exact mass: 278.9060 Da
logP: 2.22Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
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

876343-10-1

SMILES

C1=C(NC2=C1C(=NC=N2)Cl)I

InChIKey

DXPVKZYVQANEDW-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-6-iodo-7H-pyrrolo[2,3-D]pyrimidine

Work with 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine

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-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-559 % similar 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-059 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-750 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-547 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-846 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-444 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-839 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-638 % similar

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

Same formula

8-Chloro-3-iodoimidazo[1,2-A]pyrazine1049677-32-8 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook