5-(2-methylbutyl)-2-thiophen-2-ylpyridine

C14H17NS — CID 142831463

IUPAC5-(2-methylbutyl)-2-thiophen-2-ylpyridine
SMILESCCC(C)Cc1ccc(-c2cccs2)nc1
InChIInChI=1S/C14H17NS/c1-3-11(2)9-12-6-7-13(15-10-12)14-5-4-8-16-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyXCRYHEGCOIDYKC-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.40
Rot. Bonds4

About 5-(2-methylbutyl)-2-thiophen-2-ylpyridine

5-(2-methylbutyl)-2-thiophen-2-ylpyridine (PubChem CID 142831463) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-(2-methylbutyl)-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name5-(2-methylbutyl)-2-thiophen-2-ylpyridine
PubChem CID142831463
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name5-(2-methylbutyl)-2-thiophen-2-ylpyridine
SMILESCCC(C)Cc1ccc(-c2cccs2)nc1
InChIInChI=1S/C14H17NS/c1-3-11(2)9-12-6-7-13(15-10-12)14-5-4-8-16-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyXCRYHEGCOIDYKC-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 5-(2-methylbutyl)-2-thiophen-2-ylpyridine?
The IUPAC name of 5-(2-methylbutyl)-2-thiophen-2-ylpyridine (CID 142831463) is 5-(2-methylbutyl)-2-thiophen-2-ylpyridine.
What is the SMILES notation for 5-(2-methylbutyl)-2-thiophen-2-ylpyridine?
The canonical SMILES for 5-(2-methylbutyl)-2-thiophen-2-ylpyridine is CCC(C)Cc1ccc(-c2cccs2)nc1.
What is the InChIKey of 5-(2-methylbutyl)-2-thiophen-2-ylpyridine?
The InChIKey is XCRYHEGCOIDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-11(2)9-12-6-7-13(15-10-12)14-5-4-8-16-14/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 5-(2-methylbutyl)-2-thiophen-2-ylpyridine?
5-(2-methylbutyl)-2-thiophen-2-ylpyridine has a molecular weight of 231.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-2-thiophen-2-ylpyridine is sourced from PubChem (CID 142831463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).