1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine

C12H14N2 — CID 19417919

IUPAC1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine
SMILESC=C(C1=CC=CCN1)N1C=CC=CC1
InChIInChI=1S/C12H14N2/c1-11(12-7-3-4-8-13-12)14-9-5-2-6-10-14/h2-7,9,13H,1,8,10H2
InChIKeyCFVNMPYKVZVOLG-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine

1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine (PubChem CID 19417919) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine.

Molecular Properties

Compound Name1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine
PubChem CID19417919
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine
SMILESC=C(C1=CC=CCN1)N1C=CC=CC1
InChIInChI=1S/C12H14N2/c1-11(12-7-3-4-8-13-12)14-9-5-2-6-10-14/h2-7,9,13H,1,8,10H2
InChIKeyCFVNMPYKVZVOLG-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine?
The IUPAC name of 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine (CID 19417919) is 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine.
What is the SMILES notation for 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine?
The canonical SMILES for 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine is C=C(C1=CC=CCN1)N1C=CC=CC1.
What is the InChIKey of 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine?
The InChIKey is CFVNMPYKVZVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-11(12-7-3-4-8-13-12)14-9-5-2-6-10-14/h2-7,9,13H,1,8,10H2.
What are the key properties of 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine?
1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine has a molecular weight of 186.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine is sourced from PubChem (CID 19417919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).