5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine

C16H17N — CID 59499015

IUPAC5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
SMILESC=Cc1ccc(Cc2ccc(CC)cc2)nc1
InChIInChI=1S/C16H17N/c1-3-13-5-7-15(8-6-13)11-16-10-9-14(4-2)12-17-16/h4-10,12H,2-3,11H2,1H3
InChIKeyMTJDUXYKPSTGCU-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.88
Rot. Bonds4

About 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine

5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine (PubChem CID 59499015) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine.

Molecular Properties

Compound Name5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
PubChem CID59499015
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
SMILESC=Cc1ccc(Cc2ccc(CC)cc2)nc1
InChIInChI=1S/C16H17N/c1-3-13-5-7-15(8-6-13)11-16-10-9-14(4-2)12-17-16/h4-10,12H,2-3,11H2,1H3
InChIKeyMTJDUXYKPSTGCU-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine?
The IUPAC name of 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine (CID 59499015) is 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine.
What is the SMILES notation for 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine?
The canonical SMILES for 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine is C=Cc1ccc(Cc2ccc(CC)cc2)nc1.
What is the InChIKey of 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine?
The InChIKey is MTJDUXYKPSTGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-13-5-7-15(8-6-13)11-16-10-9-14(4-2)12-17-16/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine?
5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine has a molecular weight of 223.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine is sourced from PubChem (CID 59499015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).