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

C10H5FIN3O — CID 155227524

IUPAC5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3I)c2c1
InChIInChI=1S/C10H5FIN3O/c11-5-1-6-7(3-14-10(6)13-2-5)8-9(12)15-4-16-8/h1-4H,(H,13,14)
InChIKeySAYPATWFSWOCQW-UHFFFAOYSA-N
MW329.07 g/mol
LogP2.96
Rot. Bonds1

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

5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole (PubChem CID 155227524) has the molecular formula C10H5FIN3O and a molecular weight of 329.07 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole
PubChem CID155227524
Molecular FormulaC10H5FIN3O
Molecular Weight329.07 g/mol
Exact Mass328.95
IUPAC Name5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3I)c2c1
InChIInChI=1S/C10H5FIN3O/c11-5-1-6-7(3-14-10(6)13-2-5)8-9(12)15-4-16-8/h1-4H,(H,13,14)
InChIKeySAYPATWFSWOCQW-UHFFFAOYSA-N
XLogP2.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.07
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole?
The IUPAC name of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole (CID 155227524) is 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole.
What is the SMILES notation for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole?
The canonical SMILES for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole is Fc1cnc2[nH]cc(-c3ocnc3I)c2c1.
What is the InChIKey of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole?
The InChIKey is SAYPATWFSWOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FIN3O/c11-5-1-6-7(3-14-10(6)13-2-5)8-9(12)15-4-16-8/h1-4H,(H,13,14).
What are the key properties of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole?
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole has a molecular weight of 329.07 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole is sourced from PubChem (CID 155227524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).