methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate

C10H9NO4 — CID 58047648

IUPACmethyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nc(CO)ccc2o1
InChIInChI=1S/C10H9NO4/c1-14-10(13)9-4-7-8(15-9)3-2-6(5-12)11-7/h2-4,12H,5H2,1H3
InChIKeyMUJMXPQETGPRLT-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.11
Rot. Bonds2

About methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate

methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate (PubChem CID 58047648) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate
PubChem CID58047648
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Namemethyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nc(CO)ccc2o1
InChIInChI=1S/C10H9NO4/c1-14-10(13)9-4-7-8(15-9)3-2-6(5-12)11-7/h2-4,12H,5H2,1H3
InChIKeyMUJMXPQETGPRLT-UHFFFAOYSA-N
XLogP1.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate (CID 58047648) is methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate is COC(=O)c1cc2nc(CO)ccc2o1.
What is the InChIKey of methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate?
The InChIKey is MUJMXPQETGPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-14-10(13)9-4-7-8(15-9)3-2-6(5-12)11-7/h2-4,12H,5H2,1H3.
What are the key properties of methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate?
methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 58047648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).