4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine

C18H16N2 — CID 20646252

IUPAC4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
SMILESc1cc(Cc2ccc(Cc3ccncc3)cc2)ccn1
InChIInChI=1S/C18H16N2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-12H,13-14H2
InChIKeyFFHRKYGEMWVANQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.66
Rot. Bonds4

About 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine

4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine (PubChem CID 20646252) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
PubChem CID20646252
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
SMILESc1cc(Cc2ccc(Cc3ccncc3)cc2)ccn1
InChIInChI=1S/C18H16N2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-12H,13-14H2
InChIKeyFFHRKYGEMWVANQ-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The IUPAC name of 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine (CID 20646252) is 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The canonical SMILES for 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine is c1cc(Cc2ccc(Cc3ccncc3)cc2)ccn1.
What is the InChIKey of 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The InChIKey is FFHRKYGEMWVANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-12H,13-14H2.
What are the key properties of 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine has a molecular weight of 260.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 20646252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).