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

C13H14F2N2O3 — CID 169247656

IUPACmethyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1C[C@H](F)[C@@H](F)C1)COC2
InChIInChI=1S/C13H14F2N2O3/c1-19-13(18)8-2-7-5-20-6-11(7)16-12(8)17-3-9(14)10(15)4-17/h2,9-10H,3-6H2,1H3/t9-,10-/m0/s1
InChIKeyRHIQVFQROVTNHD-UWVGGRQHSA-N
MW284.26 g/mol
LogP1.39
Rot. Bonds2

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

methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247656) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247656
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N1C[C@H](F)[C@@H](F)C1)COC2
InChIInChI=1S/C13H14F2N2O3/c1-19-13(18)8-2-7-5-20-6-11(7)16-12(8)17-3-9(14)10(15)4-17/h2,9-10H,3-6H2,1H3/t9-,10-/m0/s1
InChIKeyRHIQVFQROVTNHD-UWVGGRQHSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3S,4S)-3,4-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-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247656) is methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is COC(=O)c1cc2c(nc1N1C[C@H](F)[C@@H](F)C1)COC2.
What is the InChIKey of methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is RHIQVFQROVTNHD-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-19-13(18)8-2-7-5-20-6-11(7)16-12(8)17-3-9(14)10(15)4-17/h2,9-10H,3-6H2,1H3/t9-,10-/m0/s1.
What are the key properties of methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 284.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).