tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate

C14H15NO2S — CID 139447971

IUPACtert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C14H15NO2S/c1-14(2,3)17-13(16)10-4-6-15-12(8-10)11-5-7-18-9-11/h4-9H,1-3H3
InChIKeyWLDHZFYBWCFCDX-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate

tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate (PubChem CID 139447971) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
PubChem CID139447971
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nametert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C14H15NO2S/c1-14(2,3)17-13(16)10-4-6-15-12(8-10)11-5-7-18-9-11/h4-9H,1-3H3
InChIKeyWLDHZFYBWCFCDX-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate (CID 139447971) is tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(-c2ccsc2)c1.
What is the InChIKey of tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate?
The InChIKey is WLDHZFYBWCFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-14(2,3)17-13(16)10-4-6-15-12(8-10)11-5-7-18-9-11/h4-9H,1-3H3.
What are the key properties of tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate?
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 139447971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).