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

C11H5Cl2FN4O — CID 116688984

IUPAC2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
SMILESFc1c(Cl)cccc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H5Cl2FN4O/c12-5-2-1-3-6(7(5)14)19-10-8-9(16-4-15-8)17-11(13)18-10/h1-4H,(H,15,16,17,18)
InChIKeyWQOXGYMQYXZSCS-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.59
Rot. Bonds2

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

2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine (PubChem CID 116688984) has the molecular formula C11H5Cl2FN4O and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
PubChem CID116688984
Molecular FormulaC11H5Cl2FN4O
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
SMILESFc1c(Cl)cccc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H5Cl2FN4O/c12-5-2-1-3-6(7(5)14)19-10-8-9(16-4-15-8)17-11(13)18-10/h1-4H,(H,15,16,17,18)
InChIKeyWQOXGYMQYXZSCS-UHFFFAOYSA-N
XLogP3.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
CID 103044721
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
2-chloro-6-[3-(trifluoromethyl)phenoxy]-7H-purine
CID 104786953
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
6-(3-bromo-5-fluorophenoxy)-2-chloro-7H-purine
CID 104697450
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine (CID 116688984) is 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine is Fc1c(Cl)cccc1Oc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine?
The InChIKey is WQOXGYMQYXZSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4O/c12-5-2-1-3-6(7(5)14)19-10-8-9(16-4-15-8)17-11(13)18-10/h1-4H,(H,15,16,17,18).
What are the key properties of 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine?
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine has a molecular weight of 299.09 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine is sourced from PubChem (CID 116688984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).