2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine

C16H15N3 — CID 59685716

IUPAC2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
SMILESc1ccc(Cc2cccc(Cn3cccc3)n2)nc1
InChIInChI=1S/C16H15N3/c1-2-9-17-14(6-1)12-15-7-5-8-16(18-15)13-19-10-3-4-11-19/h1-11H,12-13H2
InChIKeyFVGMEFKOMLQWID-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.92
Rot. Bonds4

About 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine

2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (PubChem CID 59685716) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
PubChem CID59685716
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
SMILESc1ccc(Cc2cccc(Cn3cccc3)n2)nc1
InChIInChI=1S/C16H15N3/c1-2-9-17-14(6-1)12-15-7-5-8-16(18-15)13-19-10-3-4-11-19/h1-11H,12-13H2
InChIKeyFVGMEFKOMLQWID-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (CID 59685716) is 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is c1ccc(Cc2cccc(Cn3cccc3)n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is FVGMEFKOMLQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-9-17-14(6-1)12-15-7-5-8-16(18-15)13-19-10-3-4-11-19/h1-11H,12-13H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 249.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 59685716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).