7-(4-bromophenyl)-6-chloropurine

C11H6BrClN4 — CID 132588061

IUPAC7-(4-bromophenyl)-6-chloropurine
SMILESClc1ncnc2ncn(-c3ccc(Br)cc3)c12
InChIInChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-6-16-11-9(17)10(13)14-5-15-11/h1-6H
InChIKeyCYOCZBXKGZQUND-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.23
Rot. Bonds1

About 7-(4-bromophenyl)-6-chloropurine

7-(4-bromophenyl)-6-chloropurine (PubChem CID 132588061) has the molecular formula C11H6BrClN4 and a molecular weight of 309.55 g/mol. Its IUPAC name is 7-(4-bromophenyl)-6-chloropurine.

Molecular Properties

Compound Name7-(4-bromophenyl)-6-chloropurine
PubChem CID132588061
Molecular FormulaC11H6BrClN4
Molecular Weight309.55 g/mol
Exact Mass307.95
IUPAC Name7-(4-bromophenyl)-6-chloropurine
SMILESClc1ncnc2ncn(-c3ccc(Br)cc3)c12
InChIInChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-6-16-11-9(17)10(13)14-5-15-11/h1-6H
InChIKeyCYOCZBXKGZQUND-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-6-chloropurine?
The IUPAC name of 7-(4-bromophenyl)-6-chloropurine (CID 132588061) is 7-(4-bromophenyl)-6-chloropurine.
What is the SMILES notation for 7-(4-bromophenyl)-6-chloropurine?
The canonical SMILES for 7-(4-bromophenyl)-6-chloropurine is Clc1ncnc2ncn(-c3ccc(Br)cc3)c12.
What is the InChIKey of 7-(4-bromophenyl)-6-chloropurine?
The InChIKey is CYOCZBXKGZQUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-6-16-11-9(17)10(13)14-5-15-11/h1-6H.
What are the key properties of 7-(4-bromophenyl)-6-chloropurine?
7-(4-bromophenyl)-6-chloropurine has a molecular weight of 309.55 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-6-chloropurine is sourced from PubChem (CID 132588061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).