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

C₆H₂Cl₂IN₃CAS 1012785-51-1313.91 g/mol

Open in Covalent MOL file

Aryl halide

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

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-945 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-041 % similar 4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine42754-96-138 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-135 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-535 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-635 % similar 2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine875781-44-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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