2-(thiophen-2-ylmethyl)pyridine

C10H9NS — CID 13363957

IUPAC2-(thiophen-2-ylmethyl)pyridine
SMILESc1ccc(Cc2cccs2)nc1
InChIInChI=1S/C10H9NS/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-7H,8H2
InChIKeyNJHQRYDTEGCKKH-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.73
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)pyridine

2-(thiophen-2-ylmethyl)pyridine (PubChem CID 13363957) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)pyridine
PubChem CID13363957
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-(thiophen-2-ylmethyl)pyridine
SMILESc1ccc(Cc2cccs2)nc1
InChIInChI=1S/C10H9NS/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-7H,8H2
InChIKeyNJHQRYDTEGCKKH-UHFFFAOYSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)pyridine?
The IUPAC name of 2-(thiophen-2-ylmethyl)pyridine (CID 13363957) is 2-(thiophen-2-ylmethyl)pyridine.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)pyridine?
The canonical SMILES for 2-(thiophen-2-ylmethyl)pyridine is c1ccc(Cc2cccs2)nc1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)pyridine?
The InChIKey is NJHQRYDTEGCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-7H,8H2.
What are the key properties of 2-(thiophen-2-ylmethyl)pyridine?
2-(thiophen-2-ylmethyl)pyridine has a molecular weight of 175.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)pyridine is sourced from PubChem (CID 13363957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).