2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine

C17H15NO — CID 153283609

IUPAC2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine
SMILESC=Cc1c(C)oc2c(-c3cc(C)ccn3)cccc12
InChIInChI=1S/C17H15NO/c1-4-13-12(3)19-17-14(13)6-5-7-15(17)16-10-11(2)8-9-18-16/h4-10H,1H2,2-3H3
InChIKeyODFGUXBHKCWXPL-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.75
Rot. Bonds2

About 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine

2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine (PubChem CID 153283609) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine
PubChem CID153283609
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine
SMILESC=Cc1c(C)oc2c(-c3cc(C)ccn3)cccc12
InChIInChI=1S/C17H15NO/c1-4-13-12(3)19-17-14(13)6-5-7-15(17)16-10-11(2)8-9-18-16/h4-10H,1H2,2-3H3
InChIKeyODFGUXBHKCWXPL-UHFFFAOYSA-N
XLogP4.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine?
The IUPAC name of 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine (CID 153283609) is 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine.
What is the SMILES notation for 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine?
The canonical SMILES for 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine is C=Cc1c(C)oc2c(-c3cc(C)ccn3)cccc12.
What is the InChIKey of 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine?
The InChIKey is ODFGUXBHKCWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-4-13-12(3)19-17-14(13)6-5-7-15(17)16-10-11(2)8-9-18-16/h4-10H,1H2,2-3H3.
What are the key properties of 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine?
2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine has a molecular weight of 249.31 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine is sourced from PubChem (CID 153283609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).