2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one

C11H13NO2S — CID 134855633

IUPAC2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(C)(C)c1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C11H13NO2S/c1-11(2,3)8-4-6-10(15-8)7(13)5-9(14)12-6/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyCDCMUQNHVQRDNH-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.59
Rot. Bonds

About 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one

2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 134855633) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
PubChem CID134855633
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(C)(C)c1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C11H13NO2S/c1-11(2,3)8-4-6-10(15-8)7(13)5-9(14)12-6/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyCDCMUQNHVQRDNH-UHFFFAOYSA-N
XLogP2.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one (CID 134855633) is 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one is CC(C)(C)c1cc2[nH]c(=O)cc(O)c2s1.
What is the InChIKey of 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is CDCMUQNHVQRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-11(2,3)8-4-6-10(15-8)7(13)5-9(14)12-6/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 223.30 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-hydroxy-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 134855633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).