3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine

C21H16N2S — CID 122221812

IUPAC3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine
SMILESc1ccc(-c2sc(-c3cccnc3)cc2Cc2cccnc2)cc1
InChIInChI=1S/C21H16N2S/c1-2-7-17(8-3-1)21-19(12-16-6-4-10-22-14-16)13-20(24-21)18-9-5-11-23-15-18/h1-11,13-15H,12H2
InChIKeyPYONZTCXHHMVAM-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.46
Rot. Bonds4

About 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine

3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine (PubChem CID 122221812) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine
PubChem CID122221812
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine
SMILESc1ccc(-c2sc(-c3cccnc3)cc2Cc2cccnc2)cc1
InChIInChI=1S/C21H16N2S/c1-2-7-17(8-3-1)21-19(12-16-6-4-10-22-14-16)13-20(24-21)18-9-5-11-23-15-18/h1-11,13-15H,12H2
InChIKeyPYONZTCXHHMVAM-UHFFFAOYSA-N
XLogP5.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine?
The IUPAC name of 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine (CID 122221812) is 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine?
The canonical SMILES for 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine is c1ccc(-c2sc(-c3cccnc3)cc2Cc2cccnc2)cc1.
What is the InChIKey of 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine?
The InChIKey is PYONZTCXHHMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-2-7-17(8-3-1)21-19(12-16-6-4-10-22-14-16)13-20(24-21)18-9-5-11-23-15-18/h1-11,13-15H,12H2.
What are the key properties of 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine?
3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine has a molecular weight of 328.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-4-(pyridin-3-ylmethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 122221812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).