7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate

C17H17NO5 — CID 11056150

IUPAC7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate
SMILESCOC(=O)c1coc2c1CCCN2C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-16(19)14-11-22-15-13(14)8-5-9-18(15)17(20)23-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyGRNLRVKBGOPHQC-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.16
Rot. Bonds3

About 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate

7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate (PubChem CID 11056150) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate.

Molecular Properties

Compound Name7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate
PubChem CID11056150
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate
SMILESCOC(=O)c1coc2c1CCCN2C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-16(19)14-11-22-15-13(14)8-5-9-18(15)17(20)23-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyGRNLRVKBGOPHQC-UHFFFAOYSA-N
XLogP3.16
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate?
The IUPAC name of 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate (CID 11056150) is 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate.
What is the SMILES notation for 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate?
The canonical SMILES for 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate is COC(=O)c1coc2c1CCCN2C(=O)OCc1ccccc1.
What is the InChIKey of 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate?
The InChIKey is GRNLRVKBGOPHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-16(19)14-11-22-15-13(14)8-5-9-18(15)17(20)23-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3.
What are the key properties of 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate?
7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate has a molecular weight of 315.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-benzyl 3-O-methyl 5,6-dihydro-4H-furo[2,3-b]pyridine-3,7-dicarboxylate is sourced from PubChem (CID 11056150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).