2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid

C8H5FN2O4 — CID 81297346

IUPAC2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)C(F)n1c(=O)oc2cccnc21
InChIInChI=1S/C8H5FN2O4/c9-5(7(12)13)11-6-4(15-8(11)14)2-1-3-10-6/h1-3,5H,(H,12,13)
InChIKeyNCVNIQVXBCLJKV-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.54
Rot. Bonds2

About 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid

2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid (PubChem CID 81297346) has the molecular formula C8H5FN2O4 and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid
PubChem CID81297346
Molecular FormulaC8H5FN2O4
Molecular Weight212.14 g/mol
Exact Mass212.02
IUPAC Name2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)C(F)n1c(=O)oc2cccnc21
InChIInChI=1S/C8H5FN2O4/c9-5(7(12)13)11-6-4(15-8(11)14)2-1-3-10-6/h1-3,5H,(H,12,13)
InChIKeyNCVNIQVXBCLJKV-UHFFFAOYSA-N
XLogP0.54
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid (CID 81297346) is 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid is O=C(O)C(F)n1c(=O)oc2cccnc21.
What is the InChIKey of 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid?
The InChIKey is NCVNIQVXBCLJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O4/c9-5(7(12)13)11-6-4(15-8(11)14)2-1-3-10-6/h1-3,5H,(H,12,13).
What are the key properties of 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid?
2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid has a molecular weight of 212.14 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 81297346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).