5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

C13H7FN4O — CID 44555283

IUPAC5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3cnc4[nH]ccc4c3)oc2n1
InChIInChI=1S/C13H7FN4O/c14-10-2-1-9-13(18-10)19-12(17-9)8-5-7-3-4-15-11(7)16-6-8/h1-6H,(H,15,16)
InChIKeyQOYCEXUUGUZATQ-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.91
Rot. Bonds1

About 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44555283) has the molecular formula C13H7FN4O and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44555283
Molecular FormulaC13H7FN4O
Molecular Weight254.22 g/mol
Exact Mass254.06
IUPAC Name5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3cnc4[nH]ccc4c3)oc2n1
InChIInChI=1S/C13H7FN4O/c14-10-2-1-9-13(18-10)19-12(17-9)8-5-7-3-4-15-11(7)16-6-8/h1-6H,(H,15,16)
InChIKeyQOYCEXUUGUZATQ-UHFFFAOYSA-N
XLogP2.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44555283) is 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc2nc(-c3cnc4[nH]ccc4c3)oc2n1.
What is the InChIKey of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is QOYCEXUUGUZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O/c14-10-2-1-9-13(18-10)19-12(17-9)8-5-7-3-4-15-11(7)16-6-8/h1-6H,(H,15,16).
What are the key properties of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 254.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44555283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).