4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

C12H8FN3O — CID 90645312

IUPAC4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
InChIKeyOSVVWQSAPRHYFQ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.89
Rot. Bonds2

About 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 90645312) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID90645312
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
InChIKeyOSVVWQSAPRHYFQ-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (CID 90645312) is 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccc(Oc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OSVVWQSAPRHYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16).
What are the key properties of 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 229.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 90645312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).