2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

C12H13FN2O3 — CID 169247690

IUPAC2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCC(F)C1)COC2
InChIInChI=1S/C12H13FN2O3/c13-8-1-2-15(4-8)11-9(12(16)17)3-7-5-18-6-10(7)14-11/h3,8H,1-2,4-6H2,(H,16,17)
InChIKeyZOLALOCTALKLFJ-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (PubChem CID 169247690) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
PubChem CID169247690
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCC(F)C1)COC2
InChIInChI=1S/C12H13FN2O3/c13-8-1-2-15(4-8)11-9(12(16)17)3-7-5-18-6-10(7)14-11/h3,8H,1-2,4-6H2,(H,16,17)
InChIKeyZOLALOCTALKLFJ-UHFFFAOYSA-N
XLogP1.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (CID 169247690) is 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N1CCC(F)C1)COC2.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is ZOLALOCTALKLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-1-2-15(4-8)11-9(12(16)17)3-7-5-18-6-10(7)14-11/h3,8H,1-2,4-6H2,(H,16,17).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 169247690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).