1-(2H-pyridin-1-ylmethyl)-2H-pyridine

C11H14N2 — CID 22976701

IUPAC1-(2H-pyridin-1-ylmethyl)-2H-pyridine
SMILESC1=CCN(CN2C=CC=CC2)C=C1
InChIInChI=1S/C11H14N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-7,9H,8,10-11H2
InChIKeyRCIBBGWTYXCPMG-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.71
Rot. Bonds2

About 1-(2H-pyridin-1-ylmethyl)-2H-pyridine

1-(2H-pyridin-1-ylmethyl)-2H-pyridine (PubChem CID 22976701) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(2H-pyridin-1-ylmethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2H-pyridin-1-ylmethyl)-2H-pyridine
PubChem CID22976701
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(2H-pyridin-1-ylmethyl)-2H-pyridine
SMILESC1=CCN(CN2C=CC=CC2)C=C1
InChIInChI=1S/C11H14N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-7,9H,8,10-11H2
InChIKeyRCIBBGWTYXCPMG-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyridin-1-ylmethyl)-2H-pyridine?
The IUPAC name of 1-(2H-pyridin-1-ylmethyl)-2H-pyridine (CID 22976701) is 1-(2H-pyridin-1-ylmethyl)-2H-pyridine.
What is the SMILES notation for 1-(2H-pyridin-1-ylmethyl)-2H-pyridine?
The canonical SMILES for 1-(2H-pyridin-1-ylmethyl)-2H-pyridine is C1=CCN(CN2C=CC=CC2)C=C1.
What is the InChIKey of 1-(2H-pyridin-1-ylmethyl)-2H-pyridine?
The InChIKey is RCIBBGWTYXCPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-7,9H,8,10-11H2.
What are the key properties of 1-(2H-pyridin-1-ylmethyl)-2H-pyridine?
1-(2H-pyridin-1-ylmethyl)-2H-pyridine has a molecular weight of 174.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyridin-1-ylmethyl)-2H-pyridine is sourced from PubChem (CID 22976701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).