2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

C9H4F4N2O3 — CID 114218205

IUPAC2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C(F)(F)C(F)F)nc2n1
InChIInChI=1S/C9H4F4N2O3/c10-7(11)9(12,13)8-15-5-4(18-8)2-1-3(14-5)6(16)17/h1-2,7H,(H,16,17)
InChIKeyVMRWIIIDWJOQBB-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.28
Rot. Bonds3

About 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218205) has the molecular formula C9H4F4N2O3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218205
Molecular FormulaC9H4F4N2O3
Molecular Weight264.13 g/mol
Exact Mass264.02
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C(F)(F)C(F)F)nc2n1
InChIInChI=1S/C9H4F4N2O3/c10-7(11)9(12,13)8-15-5-4(18-8)2-1-3(14-5)6(16)17/h1-2,7H,(H,16,17)
InChIKeyVMRWIIIDWJOQBB-UHFFFAOYSA-N
XLogP2.28
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218205) is 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(C(F)(F)C(F)F)nc2n1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is VMRWIIIDWJOQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O3/c10-7(11)9(12,13)8-15-5-4(18-8)2-1-3(14-5)6(16)17/h1-2,7H,(H,16,17).
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 264.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).