4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine

C₆H₃ClIN₃CAS 123148-78-7279.47 g/mol

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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

Identifiers

CAS number

123148-78-7

SMILES

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

InChIKey

CBWBJFJMNBPWAL-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

6-Chloro-7-iodo-7-deazapurine

Work with 4-Chloro-5-iodo-7H-pyrrol[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

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-863 % similar 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine1012785-51-159 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-547 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-838 % similar 4-Chloro-5-methylthieno[2,3-D]pyrimidine43088-67-136 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar 7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-135 % similar 6-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine784150-41-035 % 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

Elsewhere

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