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

C13H15FN2O3 — CID 169247806

IUPACmethyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1CC[C@H](F)C1)COC2
InChIInChI=1S/C13H15FN2O3/c1-18-13(17)10-4-8-6-19-7-11(8)15-12(10)16-3-2-9(14)5-16/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyLXWIJMPPPXFUOX-VIFPVBQESA-N
MW266.27 g/mol
LogP1.45
Rot. Bonds2

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

methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247806) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247806
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1CC[C@H](F)C1)COC2
InChIInChI=1S/C13H15FN2O3/c1-18-13(17)10-4-8-6-19-7-11(8)15-12(10)16-3-2-9(14)5-16/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyLXWIJMPPPXFUOX-VIFPVBQESA-N
XLogP1.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247806) is methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is COC(=O)c1cc2c(nc1N1CC[C@H](F)C1)COC2.
What is the InChIKey of methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is LXWIJMPPPXFUOX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-18-13(17)10-4-8-6-19-7-11(8)15-12(10)16-3-2-9(14)5-16/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-fluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).