4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine

C12H11NO — CID 19703227

IUPAC4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine
SMILESCc1ccc(/C=C/c2ccncc2)o1
InChIInChI=1S/C12H11NO/c1-10-2-4-12(14-10)5-3-11-6-8-13-9-7-11/h2-9H,1H3/b5-3+
InChIKeyWQRKLJLWWDTUIU-HWKANZROSA-N
MW185.23 g/mol
LogP3.15
Rot. Bonds2

About 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine

4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine (PubChem CID 19703227) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine
PubChem CID19703227
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine
SMILESCc1ccc(/C=C/c2ccncc2)o1
InChIInChI=1S/C12H11NO/c1-10-2-4-12(14-10)5-3-11-6-8-13-9-7-11/h2-9H,1H3/b5-3+
InChIKeyWQRKLJLWWDTUIU-HWKANZROSA-N
XLogP3.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine (CID 19703227) is 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine is Cc1ccc(/C=C/c2ccncc2)o1.
What is the InChIKey of 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine?
The InChIKey is WQRKLJLWWDTUIU-HWKANZROSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-2-4-12(14-10)5-3-11-6-8-13-9-7-11/h2-9H,1H3/b5-3+.
What are the key properties of 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine?
4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine has a molecular weight of 185.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-methylfuran-2-yl)ethenyl]pyridine is sourced from PubChem (CID 19703227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).