3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine

C17H16N2 — CID 22861093

IUPAC3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccccc1
InChIInChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-15-8-5-11-19-17(15)16-9-4-10-18-13-16/h1-4,6-7,9-10,12-13H,5,8,11H2/b15-12+
InChIKeyKRYNRVPZHUUTOR-NTCAYCPXSA-N
MW248.33 g/mol
LogP3.75
Rot. Bonds2

About 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 22861093) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID22861093
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccccc1
InChIInChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-15-8-5-11-19-17(15)16-9-4-10-18-13-16/h1-4,6-7,9-10,12-13H,5,8,11H2/b15-12+
InChIKeyKRYNRVPZHUUTOR-NTCAYCPXSA-N
XLogP3.75
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 22861093) is 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1ccccc1.
What is the InChIKey of 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is KRYNRVPZHUUTOR-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-15-8-5-11-19-17(15)16-9-4-10-18-13-16/h1-4,6-7,9-10,12-13H,5,8,11H2/b15-12+.
What are the key properties of 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 248.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-benzylidene-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 22861093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).