3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid

C12H8F3NO5 — CID 169127213

IUPAC3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)COc1c(C(=O)O)oc2cc(C(F)(F)F)cnc12
InChIInChI=1S/C12H8F3NO5/c1-5(17)4-20-9-8-7(21-10(9)11(18)19)2-6(3-16-8)12(13,14)15/h2-3H,4H2,1H3,(H,18,19)
InChIKeyWINATTUIPBJATB-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.51
Rot. Bonds4

About 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid

3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 169127213) has the molecular formula C12H8F3NO5 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid
PubChem CID169127213
Molecular FormulaC12H8F3NO5
Molecular Weight303.19 g/mol
Exact Mass303.04
IUPAC Name3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(=O)COc1c(C(=O)O)oc2cc(C(F)(F)F)cnc12
InChIInChI=1S/C12H8F3NO5/c1-5(17)4-20-9-8-7(21-10(9)11(18)19)2-6(3-16-8)12(13,14)15/h2-3H,4H2,1H3,(H,18,19)
InChIKeyWINATTUIPBJATB-UHFFFAOYSA-N
XLogP2.51
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid (CID 169127213) is 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid is CC(=O)COc1c(C(=O)O)oc2cc(C(F)(F)F)cnc12.
What is the InChIKey of 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is WINATTUIPBJATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO5/c1-5(17)4-20-9-8-7(21-10(9)11(18)19)2-6(3-16-8)12(13,14)15/h2-3H,4H2,1H3,(H,18,19).
What are the key properties of 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid?
3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 303.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 169127213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).