2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine

C14H17NS — CID 59453583

IUPAC2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
SMILESCC(C)(C)Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)10-11-7-8-13(16-11)12-6-4-5-9-15-12/h4-9H,10H2,1-3H3
InChIKeyHYECAFYALQESLG-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.40
Rot. Bonds2

About 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine

2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine (PubChem CID 59453583) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
PubChem CID59453583
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
SMILESCC(C)(C)Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)10-11-7-8-13(16-11)12-6-4-5-9-15-12/h4-9H,10H2,1-3H3
InChIKeyHYECAFYALQESLG-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine (CID 59453583) is 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine is CC(C)(C)Cc1ccc(-c2ccccn2)s1.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine?
The InChIKey is HYECAFYALQESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-14(2,3)10-11-7-8-13(16-11)12-6-4-5-9-15-12/h4-9H,10H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine?
2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine has a molecular weight of 231.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 59453583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).