2-[1-(2-benzofuran-1-yl)ethyl]pyridine

C15H13NO — CID 174280065

IUPAC2-[1-(2-benzofuran-1-yl)ethyl]pyridine
SMILESCC(c1ccccn1)c1occ2ccccc12
InChIInChI=1S/C15H13NO/c1-11(14-8-4-5-9-16-14)15-13-7-3-2-6-12(13)10-17-15/h2-11H,1H3
InChIKeyCCUIVYGAJLEJLP-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.98
Rot. Bonds2

About 2-[1-(2-benzofuran-1-yl)ethyl]pyridine

2-[1-(2-benzofuran-1-yl)ethyl]pyridine (PubChem CID 174280065) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[1-(2-benzofuran-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[1-(2-benzofuran-1-yl)ethyl]pyridine
PubChem CID174280065
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-[1-(2-benzofuran-1-yl)ethyl]pyridine
SMILESCC(c1ccccn1)c1occ2ccccc12
InChIInChI=1S/C15H13NO/c1-11(14-8-4-5-9-16-14)15-13-7-3-2-6-12(13)10-17-15/h2-11H,1H3
InChIKeyCCUIVYGAJLEJLP-UHFFFAOYSA-N
XLogP3.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
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2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
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CID 15806675
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
(1S)-1-pyridin-2-ylethanol;hydrochloride
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2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
1-oxido-2-(1-pyridin-2-ylethyl)pyridin-1-ium
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(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-benzofuran-1-yl)ethyl]pyridine?
The IUPAC name of 2-[1-(2-benzofuran-1-yl)ethyl]pyridine (CID 174280065) is 2-[1-(2-benzofuran-1-yl)ethyl]pyridine.
What is the SMILES notation for 2-[1-(2-benzofuran-1-yl)ethyl]pyridine?
The canonical SMILES for 2-[1-(2-benzofuran-1-yl)ethyl]pyridine is CC(c1ccccn1)c1occ2ccccc12.
What is the InChIKey of 2-[1-(2-benzofuran-1-yl)ethyl]pyridine?
The InChIKey is CCUIVYGAJLEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11(14-8-4-5-9-16-14)15-13-7-3-2-6-12(13)10-17-15/h2-11H,1H3.
What are the key properties of 2-[1-(2-benzofuran-1-yl)ethyl]pyridine?
2-[1-(2-benzofuran-1-yl)ethyl]pyridine has a molecular weight of 223.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-benzofuran-1-yl)ethyl]pyridine is sourced from PubChem (CID 174280065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).