3-(3-methylthiophen-2-yl)pyridine

C10H9NS — CID 23646069

IUPAC3-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cccnc1
InChIInChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3
InChIKeyJIOQSJVEVFADJG-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.12
Rot. Bonds1

About 3-(3-methylthiophen-2-yl)pyridine

3-(3-methylthiophen-2-yl)pyridine (PubChem CID 23646069) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)pyridine
PubChem CID23646069
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cccnc1
InChIInChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3
InChIKeyJIOQSJVEVFADJG-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 3-(3-methylthiophen-2-yl)pyridine (CID 23646069) is 3-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)pyridine is Cc1ccsc1-c1cccnc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)pyridine?
The InChIKey is JIOQSJVEVFADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)pyridine?
3-(3-methylthiophen-2-yl)pyridine has a molecular weight of 175.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 23646069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).