4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine

C10H11NS — CID 70337804

IUPAC4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine
SMILESCC1=CCC(c2ccncc2)S1
InChIInChI=1S/C10H11NS/c1-8-2-3-10(12-8)9-4-6-11-7-5-9/h2,4-7,10H,3H2,1H3
InChIKeyVDQKWKZVMJWHTF-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.16
Rot. Bonds1

About 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine

4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine (PubChem CID 70337804) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine
PubChem CID70337804
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine
SMILESCC1=CCC(c2ccncc2)S1
InChIInChI=1S/C10H11NS/c1-8-2-3-10(12-8)9-4-6-11-7-5-9/h2,4-7,10H,3H2,1H3
InChIKeyVDQKWKZVMJWHTF-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine?
The IUPAC name of 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine (CID 70337804) is 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine.
What is the SMILES notation for 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine?
The canonical SMILES for 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine is CC1=CCC(c2ccncc2)S1.
What is the InChIKey of 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine?
The InChIKey is VDQKWKZVMJWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-2-3-10(12-8)9-4-6-11-7-5-9/h2,4-7,10H,3H2,1H3.
What are the key properties of 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine?
4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine has a molecular weight of 177.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine is sourced from PubChem (CID 70337804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).