2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine

C20H17N — CID 132600270

IUPAC2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccccn2)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C20H17N/c1-16-10-13-19(20-9-5-6-14-21-20)18(15-16)12-11-17-7-3-2-4-8-17/h2-15H,1H3/b12-11+
InChIKeyRHWDRTHFVPVTNS-VAWYXSNFSA-N
MW271.36 g/mol
LogP5.23
Rot. Bonds3

About 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine

2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine (PubChem CID 132600270) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine
PubChem CID132600270
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccccn2)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C20H17N/c1-16-10-13-19(20-9-5-6-14-21-20)18(15-16)12-11-17-7-3-2-4-8-17/h2-15H,1H3/b12-11+
InChIKeyRHWDRTHFVPVTNS-VAWYXSNFSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine?
The IUPAC name of 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine (CID 132600270) is 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine is Cc1ccc(-c2ccccn2)c(/C=C/c2ccccc2)c1.
What is the InChIKey of 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine?
The InChIKey is RHWDRTHFVPVTNS-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17N/c1-16-10-13-19(20-9-5-6-14-21-20)18(15-16)12-11-17-7-3-2-4-8-17/h2-15H,1H3/b12-11+.
What are the key properties of 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine?
2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine has a molecular weight of 271.36 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine is sourced from PubChem (CID 132600270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).