6-chloro-8-(3-fluorophenyl)-2-iodo-9-methyl-9H-purine

HCID 9952265
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Basic information

Standard SMILES
Cn1c(-c2cccc(F)c2)nc2c(Cl)nc(I)nc21
InChIKey
QNJNGRDIBGGFSE-UHFFFAOYSA-N
Molecular formula
C12H7ClFIN4
Average molar mass
388.56 g/mol

Names & identifiers

Preferred name
6-chloro-8-(3-fluorophenyl)-2-iodo-9-methyl-9H-purine
IUPAC
6-chloro-8-(3-fluorophenyl)-2-iodo-9-methylpurine

Names & synonyms

6-chloro-8-(3-fluorophenyl)-2-iodo-9-methyl-9H-purine232254-97-6SCHEMBL5973347QNJNGRDIBGGFSE-UHFFFAOYSA-NDB-333463

Database identifiers

PubChem CID
9952265
Nikkaji
J1.524.880G

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

Related reactions

8 records
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Compound notes

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