4-phenyl-2-(3-propylphenyl)pyridine

C20H19N — CID 144632078

IUPAC4-phenyl-2-(3-propylphenyl)pyridine
SMILESCCCc1cccc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C20H19N/c1-2-7-16-8-6-11-19(14-16)20-15-18(12-13-21-20)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3
InChIKeyKNRVOEQTUFPJOE-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.37
Rot. Bonds4

About 4-phenyl-2-(3-propylphenyl)pyridine

4-phenyl-2-(3-propylphenyl)pyridine (PubChem CID 144632078) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-phenyl-2-(3-propylphenyl)pyridine.

Molecular Properties

Compound Name4-phenyl-2-(3-propylphenyl)pyridine
PubChem CID144632078
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name4-phenyl-2-(3-propylphenyl)pyridine
SMILESCCCc1cccc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C20H19N/c1-2-7-16-8-6-11-19(14-16)20-15-18(12-13-21-20)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3
InChIKeyKNRVOEQTUFPJOE-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-propylphenyl)pyridine?
The IUPAC name of 4-phenyl-2-(3-propylphenyl)pyridine (CID 144632078) is 4-phenyl-2-(3-propylphenyl)pyridine.
What is the SMILES notation for 4-phenyl-2-(3-propylphenyl)pyridine?
The canonical SMILES for 4-phenyl-2-(3-propylphenyl)pyridine is CCCc1cccc(-c2cc(-c3ccccc3)ccn2)c1.
What is the InChIKey of 4-phenyl-2-(3-propylphenyl)pyridine?
The InChIKey is KNRVOEQTUFPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-7-16-8-6-11-19(14-16)20-15-18(12-13-21-20)17-9-4-3-5-10-17/h3-6,8-15H,2,7H2,1H3.
What are the key properties of 4-phenyl-2-(3-propylphenyl)pyridine?
4-phenyl-2-(3-propylphenyl)pyridine has a molecular weight of 273.38 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-propylphenyl)pyridine is sourced from PubChem (CID 144632078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).