3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine

C13H11NO2 — CID 177207014

IUPAC3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCOc1cnc2c(c1)oc1cc(C)ccc12
InChIInChI=1S/C13H11NO2/c1-8-3-4-10-11(5-8)16-12-6-9(15-2)7-14-13(10)12/h3-7H,1-2H3
InChIKeyXGFJZOAXZYURNB-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.30
Rot. Bonds1

About 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine

3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 177207014) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID177207014
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCOc1cnc2c(c1)oc1cc(C)ccc12
InChIInChI=1S/C13H11NO2/c1-8-3-4-10-11(5-8)16-12-6-9(15-2)7-14-13(10)12/h3-7H,1-2H3
InChIKeyXGFJZOAXZYURNB-UHFFFAOYSA-N
XLogP3.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine (CID 177207014) is 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine is COc1cnc2c(c1)oc1cc(C)ccc12.
What is the InChIKey of 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XGFJZOAXZYURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-8-3-4-10-11(5-8)16-12-6-9(15-2)7-14-13(10)12/h3-7H,1-2H3.
What are the key properties of 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine?
3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 213.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 177207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).