methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate

C9H8N2O3 — CID 45356738

IUPACmethyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(N)cnc2o1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,10H2,1H3
InChIKeyIBOMFNOIIWZDLV-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.20
Rot. Bonds1

About methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate

methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate (PubChem CID 45356738) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
PubChem CID45356738
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(N)cnc2o1
InChIInChI=1S/C9H8N2O3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,10H2,1H3
InChIKeyIBOMFNOIIWZDLV-UHFFFAOYSA-N
XLogP1.20
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate (CID 45356738) is methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(N)cnc2o1.
What is the InChIKey of methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is IBOMFNOIIWZDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,10H2,1H3.
What are the key properties of methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate?
methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 45356738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).