4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine

C16H17N — CID 13257451

IUPAC4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
SMILESCc1cc(C)c(/C=C/c2ccncc2)c(C)c1
InChIInChI=1S/C16H17N/c1-12-10-13(2)16(14(3)11-12)5-4-15-6-8-17-9-7-15/h4-11H,1-3H3/b5-4+
InChIKeyJSOJAAAXEWUFCU-SNAWJCMRSA-N
MW223.32 g/mol
LogP4.18
Rot. Bonds2

About 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine

4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine (PubChem CID 13257451) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
PubChem CID13257451
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
SMILESCc1cc(C)c(/C=C/c2ccncc2)c(C)c1
InChIInChI=1S/C16H17N/c1-12-10-13(2)16(14(3)11-12)5-4-15-6-8-17-9-7-15/h4-11H,1-3H3/b5-4+
InChIKeyJSOJAAAXEWUFCU-SNAWJCMRSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 147588244
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-[2-(2-fluoro-4-methylphenyl)ethenyl]pyridine
CID 176726557
4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
CID 176726563
1,3,5-trimethyl-2-prop-1-enylbenzene
CID 54520603
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
7-methyl-2-[(E)-2-pyridin-4-ylethenyl]quinoline
CID 135022322
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
CID 122210950
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine (CID 13257451) is 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine is Cc1cc(C)c(/C=C/c2ccncc2)c(C)c1.
What is the InChIKey of 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine?
The InChIKey is JSOJAAAXEWUFCU-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H17N/c1-12-10-13(2)16(14(3)11-12)5-4-15-6-8-17-9-7-15/h4-11H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine?
4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine has a molecular weight of 223.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine is sourced from PubChem (CID 13257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).