3-(4-methylthiophen-3-yl)pyridine

C10H9NS — CID 11378800

IUPAC3-(4-methylthiophen-3-yl)pyridine
SMILESCc1cscc1-c1cccnc1
InChIInChI=1S/C10H9NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-7H,1H3
InChIKeyRRFCTHIOMKUJRQ-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.12
Rot. Bonds1

About 3-(4-methylthiophen-3-yl)pyridine

3-(4-methylthiophen-3-yl)pyridine (PubChem CID 11378800) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-(4-methylthiophen-3-yl)pyridine.

Molecular Properties

Compound Name3-(4-methylthiophen-3-yl)pyridine
PubChem CID11378800
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3-(4-methylthiophen-3-yl)pyridine
SMILESCc1cscc1-c1cccnc1
InChIInChI=1S/C10H9NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-7H,1H3
InChIKeyRRFCTHIOMKUJRQ-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-(4-methylthiophen-3-yl)pyridine?
The IUPAC name of 3-(4-methylthiophen-3-yl)pyridine (CID 11378800) is 3-(4-methylthiophen-3-yl)pyridine.
What is the SMILES notation for 3-(4-methylthiophen-3-yl)pyridine?
The canonical SMILES for 3-(4-methylthiophen-3-yl)pyridine is Cc1cscc1-c1cccnc1.
What is the InChIKey of 3-(4-methylthiophen-3-yl)pyridine?
The InChIKey is RRFCTHIOMKUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-7H,1H3.
What are the key properties of 3-(4-methylthiophen-3-yl)pyridine?
3-(4-methylthiophen-3-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-(4-methylthiophen-3-yl)pyridine is sourced from PubChem (CID 11378800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).