2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine

C16H13N3 — CID 166974134

IUPAC2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
SMILESc1ccc(-c2cccc(Cc3ccncc3)n2)nc1
InChIInChI=1S/C16H13N3/c1-2-9-18-15(5-1)16-6-3-4-14(19-16)12-13-7-10-17-11-8-13/h1-11H,12H2
InChIKeyPAEFUSYMZDMBSL-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.13
Rot. Bonds3

About 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine

2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine (PubChem CID 166974134) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
PubChem CID166974134
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
SMILESc1ccc(-c2cccc(Cc3ccncc3)n2)nc1
InChIInChI=1S/C16H13N3/c1-2-9-18-15(5-1)16-6-3-4-14(19-16)12-13-7-10-17-11-8-13/h1-11H,12H2
InChIKeyPAEFUSYMZDMBSL-UHFFFAOYSA-N
XLogP3.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine?
The IUPAC name of 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine (CID 166974134) is 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine is c1ccc(-c2cccc(Cc3ccncc3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine?
The InChIKey is PAEFUSYMZDMBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-9-18-15(5-1)16-6-3-4-14(19-16)12-13-7-10-17-11-8-13/h1-11H,12H2.
What are the key properties of 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine?
2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine has a molecular weight of 247.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine is sourced from PubChem (CID 166974134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).