2-phenyl-5-(pyridin-4-ylmethyl)pyridine

C17H14N2 — CID 57330009

IUPAC2-phenyl-5-(pyridin-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccc(Cc3ccncc3)cn2)cc1
InChIInChI=1S/C17H14N2/c1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14/h1-11,13H,12H2
InChIKeyHYJMFEOCSVZZMH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.73
Rot. Bonds3

About 2-phenyl-5-(pyridin-4-ylmethyl)pyridine

2-phenyl-5-(pyridin-4-ylmethyl)pyridine (PubChem CID 57330009) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-phenyl-5-(pyridin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-phenyl-5-(pyridin-4-ylmethyl)pyridine
PubChem CID57330009
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-phenyl-5-(pyridin-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccc(Cc3ccncc3)cn2)cc1
InChIInChI=1S/C17H14N2/c1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14/h1-11,13H,12H2
InChIKeyHYJMFEOCSVZZMH-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(pyridin-4-ylmethyl)pyridine?
The IUPAC name of 2-phenyl-5-(pyridin-4-ylmethyl)pyridine (CID 57330009) is 2-phenyl-5-(pyridin-4-ylmethyl)pyridine.
What is the SMILES notation for 2-phenyl-5-(pyridin-4-ylmethyl)pyridine?
The canonical SMILES for 2-phenyl-5-(pyridin-4-ylmethyl)pyridine is c1ccc(-c2ccc(Cc3ccncc3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(pyridin-4-ylmethyl)pyridine?
The InChIKey is HYJMFEOCSVZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14/h1-11,13H,12H2.
What are the key properties of 2-phenyl-5-(pyridin-4-ylmethyl)pyridine?
2-phenyl-5-(pyridin-4-ylmethyl)pyridine has a molecular weight of 246.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(pyridin-4-ylmethyl)pyridine is sourced from PubChem (CID 57330009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).