2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

C12H8FN3O — CID 58148271

IUPAC2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3F)nc2c1
InChIInChI=1S/C12H8FN3O/c1-7-4-10-12(15-5-7)17-11(16-10)8-2-3-14-6-9(8)13/h2-6H,1H3
InChIKeyQGKJTBNDDBRVTH-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.73
Rot. Bonds1

About 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58148271) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58148271
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3F)nc2c1
InChIInChI=1S/C12H8FN3O/c1-7-4-10-12(15-5-7)17-11(16-10)8-2-3-14-6-9(8)13/h2-6H,1H3
InChIKeyQGKJTBNDDBRVTH-UHFFFAOYSA-N
XLogP2.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 58148271) is 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1cnc2oc(-c3ccncc3F)nc2c1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is QGKJTBNDDBRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c1-7-4-10-12(15-5-7)17-11(16-10)8-2-3-14-6-9(8)13/h2-6H,1H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 229.21 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58148271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).