1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine

C12H14N2 — CID 123357303

IUPAC1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine
SMILESC1=CN(C=CN2C=CCC=C2)C=CC1
InChIInChI=1S/C12H14N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3-12H,1-2H2
InChIKeyHCZGVPSNZPMOMV-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.92
Rot. Bonds2

About 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine

1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine (PubChem CID 123357303) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine.

Molecular Properties

Compound Name1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine
PubChem CID123357303
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine
SMILESC1=CN(C=CN2C=CCC=C2)C=CC1
InChIInChI=1S/C12H14N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3-12H,1-2H2
InChIKeyHCZGVPSNZPMOMV-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine?
The IUPAC name of 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine (CID 123357303) is 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine.
What is the SMILES notation for 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine?
The canonical SMILES for 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine is C1=CN(C=CN2C=CCC=C2)C=CC1.
What is the InChIKey of 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine?
The InChIKey is HCZGVPSNZPMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3-12H,1-2H2.
What are the key properties of 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine?
1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine has a molecular weight of 186.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4H-pyridin-1-yl)ethenyl]-4H-pyridine is sourced from PubChem (CID 123357303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).