methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate

C11H13NO4 — CID 166155868

IUPACmethyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)c2c1OCC2
InChIInChI=1S/C11H13NO4/c1-6(13)9-7-3-4-16-10(7)8(5-12-9)11(14)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyFITRHOLUVKAPGB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.86
Rot. Bonds2

About methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate

methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate (PubChem CID 166155868) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
PubChem CID166155868
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)c2c1OCC2
InChIInChI=1S/C11H13NO4/c1-6(13)9-7-3-4-16-10(7)8(5-12-9)11(14)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyFITRHOLUVKAPGB-UHFFFAOYSA-N
XLogP0.86
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate?
The IUPAC name of methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate (CID 166155868) is methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate is COC(=O)c1cnc(C(C)O)c2c1OCC2.
What is the InChIKey of methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate?
The InChIKey is FITRHOLUVKAPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(13)9-7-3-4-16-10(7)8(5-12-9)11(14)15-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate?
methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 166155868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).