7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine

C16H17NO — CID 153286236

IUPAC7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1c(C(C)(C)C)ccc2c1oc1ncccc12
InChIInChI=1S/C16H17NO/c1-10-13(16(2,3)4)8-7-11-12-6-5-9-17-15(12)18-14(10)11/h5-9H,1-4H3
InChIKeyAFNUPSDZVRKJSG-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.59
Rot. Bonds

About 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine

7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 153286236) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID153286236
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1c(C(C)(C)C)ccc2c1oc1ncccc12
InChIInChI=1S/C16H17NO/c1-10-13(16(2,3)4)8-7-11-12-6-5-9-17-15(12)18-14(10)11/h5-9H,1-4H3
InChIKeyAFNUPSDZVRKJSG-UHFFFAOYSA-N
XLogP4.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine (CID 153286236) is 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine is Cc1c(C(C)(C)C)ccc2c1oc1ncccc12.
What is the InChIKey of 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AFNUPSDZVRKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-13(16(2,3)4)8-7-11-12-6-5-9-17-15(12)18-14(10)11/h5-9H,1-4H3.
What are the key properties of 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine?
7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 239.32 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153286236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).