4-[(4-thiophen-3-ylphenyl)methyl]pyridine

C16H13NS — CID 46901784

IUPAC4-[(4-thiophen-3-ylphenyl)methyl]pyridine
SMILESc1cc(Cc2ccc(-c3ccsc3)cc2)ccn1
InChIInChI=1S/C16H13NS/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-10,12H,11H2
InChIKeyJZVKRZVTIHAZFG-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.40
Rot. Bonds3

About 4-[(4-thiophen-3-ylphenyl)methyl]pyridine

4-[(4-thiophen-3-ylphenyl)methyl]pyridine (PubChem CID 46901784) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[(4-thiophen-3-ylphenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-thiophen-3-ylphenyl)methyl]pyridine
PubChem CID46901784
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name4-[(4-thiophen-3-ylphenyl)methyl]pyridine
SMILESc1cc(Cc2ccc(-c3ccsc3)cc2)ccn1
InChIInChI=1S/C16H13NS/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-10,12H,11H2
InChIKeyJZVKRZVTIHAZFG-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-thiophen-3-ylphenyl)methyl]pyridine?
The IUPAC name of 4-[(4-thiophen-3-ylphenyl)methyl]pyridine (CID 46901784) is 4-[(4-thiophen-3-ylphenyl)methyl]pyridine.
What is the SMILES notation for 4-[(4-thiophen-3-ylphenyl)methyl]pyridine?
The canonical SMILES for 4-[(4-thiophen-3-ylphenyl)methyl]pyridine is c1cc(Cc2ccc(-c3ccsc3)cc2)ccn1.
What is the InChIKey of 4-[(4-thiophen-3-ylphenyl)methyl]pyridine?
The InChIKey is JZVKRZVTIHAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-10,12H,11H2.
What are the key properties of 4-[(4-thiophen-3-ylphenyl)methyl]pyridine?
4-[(4-thiophen-3-ylphenyl)methyl]pyridine has a molecular weight of 251.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-thiophen-3-ylphenyl)methyl]pyridine is sourced from PubChem (CID 46901784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).