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

C11H10F2N2O4 — CID 114218200

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CCOCC(F)F)nc2n1
InChIInChI=1S/C11H10F2N2O4/c12-8(13)5-18-4-3-9-15-10-7(19-9)2-1-6(14-10)11(16)17/h1-2,8H,3-5H2,(H,16,17)
InChIKeyFCDLLWVVMPYJEZ-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.75
Rot. Bonds6

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

2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218200) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218200
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CCOCC(F)F)nc2n1
InChIInChI=1S/C11H10F2N2O4/c12-8(13)5-18-4-3-9-15-10-7(19-9)2-1-6(14-10)11(16)17/h1-2,8H,3-5H2,(H,16,17)
InChIKeyFCDLLWVVMPYJEZ-UHFFFAOYSA-N
XLogP1.75
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218200) is 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(CCOCC(F)F)nc2n1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is FCDLLWVVMPYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-8(13)5-18-4-3-9-15-10-7(19-9)2-1-6(14-10)11(16)17/h1-2,8H,3-5H2,(H,16,17).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 272.21 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).