1,2,5,7-tetrahydrofuro[3,4-b]pyridine

C7H9NO — CID 118981662

IUPAC1,2,5,7-tetrahydrofuro[3,4-b]pyridine
SMILESC1=CC2=C(COC2)NC1
InChIInChI=1S/C7H9NO/c1-2-6-4-9-5-7(6)8-3-1/h1-2,8H,3-5H2
InChIKeyGWYWCXHQKFLXAO-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.43
Rot. Bonds

About 1,2,5,7-tetrahydrofuro[3,4-b]pyridine

1,2,5,7-tetrahydrofuro[3,4-b]pyridine (PubChem CID 118981662) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1,2,5,7-tetrahydrofuro[3,4-b]pyridine.

Molecular Properties

Compound Name1,2,5,7-tetrahydrofuro[3,4-b]pyridine
PubChem CID118981662
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1,2,5,7-tetrahydrofuro[3,4-b]pyridine
SMILESC1=CC2=C(COC2)NC1
InChIInChI=1S/C7H9NO/c1-2-6-4-9-5-7(6)8-3-1/h1-2,8H,3-5H2
InChIKeyGWYWCXHQKFLXAO-UHFFFAOYSA-N
XLogP0.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,7-tetrahydrofuro[3,4-b]pyridine?
The IUPAC name of 1,2,5,7-tetrahydrofuro[3,4-b]pyridine (CID 118981662) is 1,2,5,7-tetrahydrofuro[3,4-b]pyridine.
What is the SMILES notation for 1,2,5,7-tetrahydrofuro[3,4-b]pyridine?
The canonical SMILES for 1,2,5,7-tetrahydrofuro[3,4-b]pyridine is C1=CC2=C(COC2)NC1.
What is the InChIKey of 1,2,5,7-tetrahydrofuro[3,4-b]pyridine?
The InChIKey is GWYWCXHQKFLXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-4-9-5-7(6)8-3-1/h1-2,8H,3-5H2.
What are the key properties of 1,2,5,7-tetrahydrofuro[3,4-b]pyridine?
1,2,5,7-tetrahydrofuro[3,4-b]pyridine has a molecular weight of 123.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,7-tetrahydrofuro[3,4-b]pyridine is sourced from PubChem (CID 118981662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).