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

C14H9FN4O — CID 71459372

IUPAC5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILES[3H]C([3H])([3H])n1ccc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i1T3
InChIKeyWYQHKOHCTMNFAU-RLXJOQACSA-N
MW274.28 g/mol
LogP2.92
Rot. Bonds2

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

5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71459372) has the molecular formula C14H9FN4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71459372
Molecular FormulaC14H9FN4O
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILES[3H]C([3H])([3H])n1ccc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i1T3
InChIKeyWYQHKOHCTMNFAU-RLXJOQACSA-N
XLogP2.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 71459372) is 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine is [3H]C([3H])([3H])n1ccc2cc(-c3nc4ccc(F)nc4o3)cnc21.
What is the InChIKey of 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WYQHKOHCTMNFAU-RLXJOQACSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i1T3.
What are the key properties of 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 274.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71459372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).