2-bromo-6-chloro-7H-purine

C5H2BrClN4 — CID 5287744

IUPAC2-bromo-6-chloro-7H-purine
SMILESClc1nc(Br)nc2nc[nH]c12
InChIInChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11)
InChIKeyVLGHYTLGJNPTEN-UHFFFAOYSA-N
MW233.46 g/mol
LogP1.77
Rot. Bonds

About 2-bromo-6-chloro-7H-purine

2-bromo-6-chloro-7H-purine (PubChem CID 5287744) has the molecular formula C5H2BrClN4 and a molecular weight of 233.46 g/mol. Its IUPAC name is 2-bromo-6-chloro-7H-purine.

Molecular Properties

Compound Name2-bromo-6-chloro-7H-purine
PubChem CID5287744
Molecular FormulaC5H2BrClN4
Molecular Weight233.46 g/mol
Exact Mass231.92
IUPAC Name2-bromo-6-chloro-7H-purine
SMILESClc1nc(Br)nc2nc[nH]c12
InChIInChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11)
InChIKeyVLGHYTLGJNPTEN-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-chloro-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-7H-purine?
The IUPAC name of 2-bromo-6-chloro-7H-purine (CID 5287744) is 2-bromo-6-chloro-7H-purine.
What is the SMILES notation for 2-bromo-6-chloro-7H-purine?
The canonical SMILES for 2-bromo-6-chloro-7H-purine is Clc1nc(Br)nc2nc[nH]c12.
What is the InChIKey of 2-bromo-6-chloro-7H-purine?
The InChIKey is VLGHYTLGJNPTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11).
What are the key properties of 2-bromo-6-chloro-7H-purine?
2-bromo-6-chloro-7H-purine has a molecular weight of 233.46 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-7H-purine is sourced from PubChem (CID 5287744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).