2,6-dichloro-8-fluoro-7H-purine

C5HCl2FN4 — CID 155660554

IUPAC2,6-dichloro-8-fluoro-7H-purine
SMILESFc1nc2nc(Cl)nc(Cl)c2[nH]1
InChIInChI=1S/C5HCl2FN4/c6-2-1-3(11-4(7)10-2)12-5(8)9-1/h(H,9,10,11,12)
InChIKeyOIZWTMORJIMENY-UHFFFAOYSA-N
MW207.00 g/mol
LogP1.80
Rot. Bonds

About 2,6-dichloro-8-fluoro-7H-purine

2,6-dichloro-8-fluoro-7H-purine (PubChem CID 155660554) has the molecular formula C5HCl2FN4 and a molecular weight of 207.00 g/mol. Its IUPAC name is 2,6-dichloro-8-fluoro-7H-purine.

Molecular Properties

Compound Name2,6-dichloro-8-fluoro-7H-purine
PubChem CID155660554
Molecular FormulaC5HCl2FN4
Molecular Weight207.00 g/mol
Exact Mass205.96
IUPAC Name2,6-dichloro-8-fluoro-7H-purine
SMILESFc1nc2nc(Cl)nc(Cl)c2[nH]1
InChIInChI=1S/C5HCl2FN4/c6-2-1-3(11-4(7)10-2)12-5(8)9-1/h(H,9,10,11,12)
InChIKeyOIZWTMORJIMENY-UHFFFAOYSA-N
XLogP1.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-8-fluoro-7H-purine?
The IUPAC name of 2,6-dichloro-8-fluoro-7H-purine (CID 155660554) is 2,6-dichloro-8-fluoro-7H-purine.
What is the SMILES notation for 2,6-dichloro-8-fluoro-7H-purine?
The canonical SMILES for 2,6-dichloro-8-fluoro-7H-purine is Fc1nc2nc(Cl)nc(Cl)c2[nH]1.
What is the InChIKey of 2,6-dichloro-8-fluoro-7H-purine?
The InChIKey is OIZWTMORJIMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2FN4/c6-2-1-3(11-4(7)10-2)12-5(8)9-1/h(H,9,10,11,12).
What are the key properties of 2,6-dichloro-8-fluoro-7H-purine?
2,6-dichloro-8-fluoro-7H-purine has a molecular weight of 207.00 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-8-fluoro-7H-purine is sourced from PubChem (CID 155660554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).