3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine

C79H80F3N5O — CID 159523297

About 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine

3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine (PubChem CID 159523297) has the molecular formula C79H80F3N5O and a molecular weight of 1172.54 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine
• PubChem CID: 159523297
• Molecular Formula: C79H80F3N5O
• Molecular Weight: 1172.54 g/mol
• Exact Mass: 1171.63
• IUPAC Name: 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine
• SMILES: CC(=Cc1ccc(C)cc1)c1ccncc1.COc1cnccc1C=Cc1ccc(C)c(C)c1.Cc1cc(C=Cc2ccncc2)cc(C)c1C.Cc1ccc(C=Cc2c(C)cncc2C)cc1.Cc1ccc(C=Cc2ccncc2CC(F)(F)F)cc1
• InChI: InChI=1S/C16H14F3N.C16H17NO.2C16H17N.C15H15N/c1-12-2-4-13(5-3-12)6-7-14-8-9-20-11-15(14)10-16(17,18)19;1-12-4-5-14(10-13(12)2)6-7-15-8-9-17-11-16(15)18-3;1-12-4-6-15(7-5-12)8-9-16-13(2)10-17-11-14(16)3;1-12-10-16(11-13(2)14(12)3)5-4-15-6-8-17-9-7-15;1-12-3-5-14(6-4-12)11-13(2)15-7-9-16-10-8-15/h2-9,11H,10H2,1H3;4-11H,1-3H3;2*4-11H,1-3H3;3-11H,1-2H3
• InChIKey: MCBSEMRODMKHCJ-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.54
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine?

The IUPAC name of 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine (CID 159523297) is 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine.

What is the SMILES notation for 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine?

The canonical SMILES for 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine is CC(=Cc1ccc(C)cc1)c1ccncc1.COc1cnccc1C=Cc1ccc(C)c(C)c1.Cc1cc(C=Cc2ccncc2)cc(C)c1C.Cc1ccc(C=Cc2c(C)cncc2C)cc1.Cc1ccc(C=Cc2ccncc2CC(F)(F)F)cc1.

What is the InChIKey of 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine?

The InChIKey is MCBSEMRODMKHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N.C16H17NO.2C16H17N.C15H15N/c1-12-2-4-13(5-3-12)6-7-14-8-9-20-11-15(14)10-16(17,18)19;1-12-4-5-14(10-13(12)2)6-7-15-8-9-17-11-16(15)18-3;1-12-4-6-15(7-5-12)8-9-16-13(2)10-17-11-14(16)3;1-12-10-16(11-13(2)14(12)3)5-4-15-6-8-17-9-7-15;1-12-3-5-14(6-4-12)11-13(2)15-7-9-16-10-8-15/h2-9,11H,10H2,1H3;4-11H,1-3H3;2*4-11H,1-3H3;3-11H,1-2H3.

What are the key properties of 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine?

3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine has a molecular weight of 1172.54 g/mol, XLogP of 20.85, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]pyridine;4-[2-(3,4-dimethylphenyl)ethenyl]-3-methoxypyridine;4-[2-(4-methylphenyl)ethenyl]-3-(2,2,2-trifluoroethyl)pyridine;4-[1-(4-methylphenyl)prop-1-en-2-yl]pyridine;4-[2-(3,4,5-trimethylphenyl)ethenyl]pyridine is sourced from PubChem (CID 159523297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).