5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

C16H15NO2 — CID 166804417

IUPAC5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESCc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1
InChIInChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3
InChIKeyAIFPIVCQVMJTFE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.61
Rot. Bonds2

About 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine

5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (PubChem CID 166804417) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.

Molecular Properties

Compound Name5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
PubChem CID166804417
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
SMILESCc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1
InChIInChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3
InChIKeyAIFPIVCQVMJTFE-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine 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 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The IUPAC name of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine (CID 166804417) is 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine.
What is the SMILES notation for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The canonical SMILES for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is Cc1ccc(Oc2cccc3c2C2(CC2)CO3)nc1.
What is the InChIKey of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
The InChIKey is AIFPIVCQVMJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-5-6-14(17-9-11)19-13-4-2-3-12-15(13)16(7-8-16)10-18-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine?
5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine has a molecular weight of 253.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine is sourced from PubChem (CID 166804417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).