2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine

C21H16F3N — CID 102107805

IUPAC2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1/C=C/c1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C21H16F3N/c1-15-6-2-3-7-16(15)9-10-17-14-18(21(22,23)24)11-12-19(17)20-8-4-5-13-25-20/h2-14H,1H3/b10-9+
InChIKeyMOOBBKDDTQHXLW-MDZDMXLPSA-N
MW339.36 g/mol
LogP6.25
Rot. Bonds3

About 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine

2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 102107805) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
PubChem CID102107805
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1/C=C/c1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C21H16F3N/c1-15-6-2-3-7-16(15)9-10-17-14-18(21(22,23)24)11-12-19(17)20-8-4-5-13-25-20/h2-14H,1H3/b10-9+
InChIKeyMOOBBKDDTQHXLW-MDZDMXLPSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-prop-1-enyl]-5-(trifluoromethyl)phenyl]pyridine
CID 11964180
2-[5-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]pyridine
CID 102107800
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 132600270
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
2-(2-methylphenyl)pyridine
CID 144596153
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol
CID 175530136
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine (CID 102107805) is 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine is Cc1ccccc1/C=C/c1cc(C(F)(F)F)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is MOOBBKDDTQHXLW-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H16F3N/c1-15-6-2-3-7-16(15)9-10-17-14-18(21(22,23)24)11-12-19(17)20-8-4-5-13-25-20/h2-14H,1H3/b10-9+.
What are the key properties of 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine?
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 339.36 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 102107805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).