methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

C13H14F2N2O3 — CID 169247781

IUPACmethyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1CCC(F)(F)C1)COC2
InChIInChI=1S/C13H14F2N2O3/c1-19-12(18)9-4-8-5-20-6-10(8)16-11(9)17-3-2-13(14,15)7-17/h4H,2-3,5-7H2,1H3
InChIKeyGBRQGTUETBPFGT-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.74
Rot. Bonds2

About methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247781) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247781
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1CCC(F)(F)C1)COC2
InChIInChI=1S/C13H14F2N2O3/c1-19-12(18)9-4-8-5-20-6-10(8)16-11(9)17-3-2-13(14,15)7-17/h4H,2-3,5-7H2,1H3
InChIKeyGBRQGTUETBPFGT-UHFFFAOYSA-N
XLogP1.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247781) is methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is COC(=O)c1cc2c(nc1N1CCC(F)(F)C1)COC2.
What is the InChIKey of methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is GBRQGTUETBPFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-19-12(18)9-4-8-5-20-6-10(8)16-11(9)17-3-2-13(14,15)7-17/h4H,2-3,5-7H2,1H3.
What are the key properties of methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 284.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-difluoropyrrolidin-1-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).