4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine

C15H15NO — CID 134967234

IUPAC4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
SMILESC[C@@]1(Cc2ccncc2)COc2ccccc21
InChIInChI=1S/C15H15NO/c1-15(10-12-6-8-16-9-7-12)11-17-14-5-3-2-4-13(14)15/h2-9H,10-11H2,1H3/t15-/m1/s1
InChIKeyUBVMPWXJTVXJMF-OAHLLOKOSA-N
MW225.29 g/mol
LogP2.97
Rot. Bonds2

About 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine

4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine (PubChem CID 134967234) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
PubChem CID134967234
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
SMILESC[C@@]1(Cc2ccncc2)COc2ccccc21
InChIInChI=1S/C15H15NO/c1-15(10-12-6-8-16-9-7-12)11-17-14-5-3-2-4-13(14)15/h2-9H,10-11H2,1H3/t15-/m1/s1
InChIKeyUBVMPWXJTVXJMF-OAHLLOKOSA-N
XLogP2.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine (CID 134967234) is 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine is C[C@@]1(Cc2ccncc2)COc2ccccc21.
What is the InChIKey of 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine?
The InChIKey is UBVMPWXJTVXJMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(10-12-6-8-16-9-7-12)11-17-14-5-3-2-4-13(14)15/h2-9H,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine?
4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine has a molecular weight of 225.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine is sourced from PubChem (CID 134967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).