5-tert-butyl-2-thiophen-2-ylpyridine

C13H15NS — CID 59737214

IUPAC5-tert-butyl-2-thiophen-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C13H15NS/c1-13(2,3)10-6-7-11(14-9-10)12-5-4-8-15-12/h4-9H,1-3H3
InChIKeyGRRCJXFVHDTHGG-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.11
Rot. Bonds1

About 5-tert-butyl-2-thiophen-2-ylpyridine

5-tert-butyl-2-thiophen-2-ylpyridine (PubChem CID 59737214) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 5-tert-butyl-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-thiophen-2-ylpyridine
PubChem CID59737214
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name5-tert-butyl-2-thiophen-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C13H15NS/c1-13(2,3)10-6-7-11(14-9-10)12-5-4-8-15-12/h4-9H,1-3H3
InChIKeyGRRCJXFVHDTHGG-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-2-thiophen-2-ylpyridine
CID 143559622
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
2-tert-butyl-4-thiophen-2-ylpyrimidine
CID 58930423
5-(2-methylbutyl)-2-thiophen-2-ylpyridine
CID 142831463
2-tert-butyl-6-thiophen-2-ylpyridine
CID 15128602
2-chloro-5-thiophen-2-ylpyrazine
CID 16740536
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
3-methyl-6-thiophen-2-yl-1,2,4-triazine
CID 135139824
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
(6-thiophen-2-yl-3-pyridinyl) carbamate
CID 139580211
triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium
CID 10896565
1-[(4-tert-butylphenyl)methyl]-4-thiophen-2-yltriazole
CID 162664075

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-thiophen-2-ylpyridine?
The IUPAC name of 5-tert-butyl-2-thiophen-2-ylpyridine (CID 59737214) is 5-tert-butyl-2-thiophen-2-ylpyridine.
What is the SMILES notation for 5-tert-butyl-2-thiophen-2-ylpyridine?
The canonical SMILES for 5-tert-butyl-2-thiophen-2-ylpyridine is CC(C)(C)c1ccc(-c2cccs2)nc1.
What is the InChIKey of 5-tert-butyl-2-thiophen-2-ylpyridine?
The InChIKey is GRRCJXFVHDTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-13(2,3)10-6-7-11(14-9-10)12-5-4-8-15-12/h4-9H,1-3H3.
What are the key properties of 5-tert-butyl-2-thiophen-2-ylpyridine?
5-tert-butyl-2-thiophen-2-ylpyridine has a molecular weight of 217.34 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-thiophen-2-ylpyridine is sourced from PubChem (CID 59737214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).