8-(2-bromo-6-fluorophenyl)-7H-purine

C11H6BrFN4 — CID 114560138

IUPAC8-(2-bromo-6-fluorophenyl)-7H-purine
SMILESFc1cccc(Br)c1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H6BrFN4/c12-6-2-1-3-7(13)9(6)11-16-8-4-14-5-15-10(8)17-11/h1-5H,(H,14,15,16,17)
InChIKeyWOEJKDNBNLGRLB-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.92
Rot. Bonds1

About 8-(2-bromo-6-fluorophenyl)-7H-purine

8-(2-bromo-6-fluorophenyl)-7H-purine (PubChem CID 114560138) has the molecular formula C11H6BrFN4 and a molecular weight of 293.10 g/mol. Its IUPAC name is 8-(2-bromo-6-fluorophenyl)-7H-purine.

Molecular Properties

Compound Name8-(2-bromo-6-fluorophenyl)-7H-purine
PubChem CID114560138
Molecular FormulaC11H6BrFN4
Molecular Weight293.10 g/mol
Exact Mass291.98
IUPAC Name8-(2-bromo-6-fluorophenyl)-7H-purine
SMILESFc1cccc(Br)c1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H6BrFN4/c12-6-2-1-3-7(13)9(6)11-16-8-4-14-5-15-10(8)17-11/h1-5H,(H,14,15,16,17)
InChIKeyWOEJKDNBNLGRLB-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-6-fluorophenyl)-7H-purine?
The IUPAC name of 8-(2-bromo-6-fluorophenyl)-7H-purine (CID 114560138) is 8-(2-bromo-6-fluorophenyl)-7H-purine.
What is the SMILES notation for 8-(2-bromo-6-fluorophenyl)-7H-purine?
The canonical SMILES for 8-(2-bromo-6-fluorophenyl)-7H-purine is Fc1cccc(Br)c1-c1nc2ncncc2[nH]1.
What is the InChIKey of 8-(2-bromo-6-fluorophenyl)-7H-purine?
The InChIKey is WOEJKDNBNLGRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4/c12-6-2-1-3-7(13)9(6)11-16-8-4-14-5-15-10(8)17-11/h1-5H,(H,14,15,16,17).
What are the key properties of 8-(2-bromo-6-fluorophenyl)-7H-purine?
8-(2-bromo-6-fluorophenyl)-7H-purine has a molecular weight of 293.10 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-6-fluorophenyl)-7H-purine is sourced from PubChem (CID 114560138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).