2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

C₆H₂Cl₂IN₃CAS 1012785-51-1313.91 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₂IN₃
Molar mass: 313.91 g/mol
Exact mass: 312.8670 Da
logP: 2.87Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1012785-51-1

SMILES

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

InChIKey

RIRSSBIXHXMTLS-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)

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Names and synonyms

1 names

2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-D]pyrimidine

Work with 2,4-Dichloro-5-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-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-759 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-041 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-135 % similar 2,4,6,8-Tetrachloropyrimido[5,4-D]pyrimidine32980-71-535 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-833 % similar 6-Bromo-2-chloro-3-iodopyridine1138444-17-332 % similar

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

Elsewhere

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