4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine

C13H9FN2O — CID 141134187

IUPAC4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C13H9FN2O/c14-10-3-1-2-4-12(10)17-11-6-8-16-13-9(11)5-7-15-13/h1-8H,(H,15,16)
InChIKeyOTFKGRIYLVVASI-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine

4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141134187) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141134187
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C13H9FN2O/c14-10-3-1-2-4-12(10)17-11-6-8-16-13-9(11)5-7-15-13/h1-8H,(H,15,16)
InChIKeyOTFKGRIYLVVASI-UHFFFAOYSA-N
XLogP3.49
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine (CID 141134187) is 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine is Fc1ccccc1Oc1ccnc2[nH]ccc12.
What is the InChIKey of 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OTFKGRIYLVVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-10-3-1-2-4-12(10)17-11-6-8-16-13-9(11)5-7-15-13/h1-8H,(H,15,16).
What are the key properties of 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine?
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 228.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141134187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).