4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile

C16H14N2S — CID 133307423

IUPAC4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC=C(c3cccs3)CC2)cc1
InChIInChI=1S/C16H14N2S/c17-12-13-3-5-15(6-4-13)18-9-7-14(8-10-18)16-2-1-11-19-16/h1-7,11H,8-10H2
InChIKeyJEHWEJVGKNZSMP-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile

4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile (PubChem CID 133307423) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
PubChem CID133307423
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC=C(c3cccs3)CC2)cc1
InChIInChI=1S/C16H14N2S/c17-12-13-3-5-15(6-4-13)18-9-7-14(8-10-18)16-2-1-11-19-16/h1-7,11H,8-10H2
InChIKeyJEHWEJVGKNZSMP-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile?
The IUPAC name of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile (CID 133307423) is 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile?
The canonical SMILES for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile is N#Cc1ccc(N2CC=C(c3cccs3)CC2)cc1.
What is the InChIKey of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile?
The InChIKey is JEHWEJVGKNZSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-12-13-3-5-15(6-4-13)18-9-7-14(8-10-18)16-2-1-11-19-16/h1-7,11H,8-10H2.
What are the key properties of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile?
4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile has a molecular weight of 266.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile is sourced from PubChem (CID 133307423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).