2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde

C8H5FN2O2S — CID 86635344

IUPAC2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)sc2ncc(F)cc21
InChIInChI=1S/C8H5FN2O2S/c9-5-3-6-7(10-4-5)14-8(13)11(6)1-2-12/h2-4H,1H2
InChIKeyHAFVCVCTGZWMAY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.80
Rot. Bonds2

About 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde

2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde (PubChem CID 86635344) has the molecular formula C8H5FN2O2S and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde
PubChem CID86635344
Molecular FormulaC8H5FN2O2S
Molecular Weight212.20 g/mol
Exact Mass212.01
IUPAC Name2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)sc2ncc(F)cc21
InChIInChI=1S/C8H5FN2O2S/c9-5-3-6-7(10-4-5)14-8(13)11(6)1-2-12/h2-4H,1H2
InChIKeyHAFVCVCTGZWMAY-UHFFFAOYSA-N
XLogP0.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde (CID 86635344) is 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde is O=CCn1c(=O)sc2ncc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde?
The InChIKey is HAFVCVCTGZWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2S/c9-5-3-6-7(10-4-5)14-8(13)11(6)1-2-12/h2-4H,1H2.
What are the key properties of 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde?
2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde has a molecular weight of 212.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetaldehyde is sourced from PubChem (CID 86635344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).