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

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Related Compounds

methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 170045127
methyl 4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
CID 166155907
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate
CID 170718205
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
CID 131265035
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
CID 10539657

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).