1-ethenyl-2H-pyridine

C14H18N2 — CID 67435524

IUPAC1-ethenyl-2H-pyridine
SMILESC=CN1C=CC=CC1.C=CN1C=CC=CC1
InChIInChI=1S/2C7H9N/c2*1-2-8-6-4-3-5-7-8/h2*2-6H,1,7H2
InChIKeyXKMCRKORKGXEMF-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.03
Rot. Bonds2

About 1-ethenyl-2H-pyridine

1-ethenyl-2H-pyridine (PubChem CID 67435524) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethenyl-2H-pyridine.

Molecular Properties

Compound Name1-ethenyl-2H-pyridine
PubChem CID67435524
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-ethenyl-2H-pyridine
SMILESC=CN1C=CC=CC1.C=CN1C=CC=CC1
InChIInChI=1S/2C7H9N/c2*1-2-8-6-4-3-5-7-8/h2*2-6H,1,7H2
InChIKeyXKMCRKORKGXEMF-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2H-pyridine?
The IUPAC name of 1-ethenyl-2H-pyridine (CID 67435524) is 1-ethenyl-2H-pyridine.
What is the SMILES notation for 1-ethenyl-2H-pyridine?
The canonical SMILES for 1-ethenyl-2H-pyridine is C=CN1C=CC=CC1.C=CN1C=CC=CC1.
What is the InChIKey of 1-ethenyl-2H-pyridine?
The InChIKey is XKMCRKORKGXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N/c2*1-2-8-6-4-3-5-7-8/h2*2-6H,1,7H2.
What are the key properties of 1-ethenyl-2H-pyridine?
1-ethenyl-2H-pyridine has a molecular weight of 214.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyridine is sourced from PubChem (CID 67435524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).