6-chloro-2-fluoro-7H-purine

C5H2ClFN4 — CID 5287914

IUPAC6-chloro-2-fluoro-7H-purine
SMILESFc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeyUNRIYCIDCQDGQE-UHFFFAOYSA-N
MW172.55 g/mol
LogP1.15
Rot. Bonds

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

6-chloro-2-fluoro-7H-purine (PubChem CID 5287914) has the molecular formula C5H2ClFN4 and a molecular weight of 172.55 g/mol. Its IUPAC name is 6-chloro-2-fluoro-7H-purine.

Molecular Properties

Compound Name6-chloro-2-fluoro-7H-purine
PubChem CID5287914
Molecular FormulaC5H2ClFN4
Molecular Weight172.55 g/mol
Exact Mass172.00
IUPAC Name6-chloro-2-fluoro-7H-purine
SMILESFc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeyUNRIYCIDCQDGQE-UHFFFAOYSA-N
XLogP1.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.55
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-7H-purine?
The IUPAC name of 6-chloro-2-fluoro-7H-purine (CID 5287914) is 6-chloro-2-fluoro-7H-purine.
What is the SMILES notation for 6-chloro-2-fluoro-7H-purine?
The canonical SMILES for 6-chloro-2-fluoro-7H-purine is Fc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-2-fluoro-7H-purine?
The InChIKey is UNRIYCIDCQDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11).
What are the key properties of 6-chloro-2-fluoro-7H-purine?
6-chloro-2-fluoro-7H-purine has a molecular weight of 172.55 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-7H-purine is sourced from PubChem (CID 5287914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).