2-chloro-6-(3-fluorophenyl)-7H-purine

C11H6ClFN4 — CID 22309609

IUPAC2-chloro-6-(3-fluorophenyl)-7H-purine
SMILESFc1cccc(-c2nc(Cl)nc3nc[nH]c23)c1
InChIInChI=1S/C11H6ClFN4/c12-11-16-8(6-2-1-3-7(13)4-6)9-10(17-11)15-5-14-9/h1-5H,(H,14,15,16,17)
InChIKeyILBRUGBVYDXKJV-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.81
Rot. Bonds1

About 2-chloro-6-(3-fluorophenyl)-7H-purine

2-chloro-6-(3-fluorophenyl)-7H-purine (PubChem CID 22309609) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 2-chloro-6-(3-fluorophenyl)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(3-fluorophenyl)-7H-purine
PubChem CID22309609
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name2-chloro-6-(3-fluorophenyl)-7H-purine
SMILESFc1cccc(-c2nc(Cl)nc3nc[nH]c23)c1
InChIInChI=1S/C11H6ClFN4/c12-11-16-8(6-2-1-3-7(13)4-6)9-10(17-11)15-5-14-9/h1-5H,(H,14,15,16,17)
InChIKeyILBRUGBVYDXKJV-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-(3-fluorophenyl)-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-chloro-6-(3-fluorophenyl)-7H-purine?
The IUPAC name of 2-chloro-6-(3-fluorophenyl)-7H-purine (CID 22309609) is 2-chloro-6-(3-fluorophenyl)-7H-purine.
What is the SMILES notation for 2-chloro-6-(3-fluorophenyl)-7H-purine?
The canonical SMILES for 2-chloro-6-(3-fluorophenyl)-7H-purine is Fc1cccc(-c2nc(Cl)nc3nc[nH]c23)c1.
What is the InChIKey of 2-chloro-6-(3-fluorophenyl)-7H-purine?
The InChIKey is ILBRUGBVYDXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-11-16-8(6-2-1-3-7(13)4-6)9-10(17-11)15-5-14-9/h1-5H,(H,14,15,16,17).
What are the key properties of 2-chloro-6-(3-fluorophenyl)-7H-purine?
2-chloro-6-(3-fluorophenyl)-7H-purine has a molecular weight of 248.65 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluorophenyl)-7H-purine is sourced from PubChem (CID 22309609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).