ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate

C15H19NO4S — CID 54725314

IUPACethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2c(=O)n1CC(C)(C)C
InChIInChI=1S/C15H19NO4S/c1-5-20-14(19)10-11(17)12-9(6-7-21-12)13(18)16(10)8-15(2,3)4/h6-7,17H,5,8H2,1-4H3
InChIKeyKTNRFLDKYOTETL-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.99
Rot. Bonds3

About ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate

ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate (PubChem CID 54725314) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate
PubChem CID54725314
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Nameethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2c(=O)n1CC(C)(C)C
InChIInChI=1S/C15H19NO4S/c1-5-20-14(19)10-11(17)12-9(6-7-21-12)13(18)16(10)8-15(2,3)4/h6-7,17H,5,8H2,1-4H3
InChIKeyKTNRFLDKYOTETL-UHFFFAOYSA-N
XLogP2.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxoisoquinoline-3-carboxylate
CID 22175574
[1-[7-butoxy-5-(2,2-dimethylpropyl)-4-oxothieno[3,2-c]pyridin-6-yl]-2,2-dimethylpropyl]carbamic acid
CID 22175243
tert-butyl 7-bromo-2-(2,2-dimethylpropyl)-4-hydroxy-1-oxoisoquinoline-3-carboxylate
CID 86612686
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835
ethyl 2-methyl-1-oxo-4-thiophen-2-ylisoquinoline-3-carboxylate
CID 54008991
ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
CID 138512675
ethyl 2-(4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)acetate
CID 60811370
6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 139626680
ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
CID 87255401
ethyl 4-methoxy-1,2-dimethyl-5-oxopyrazole-3-carboxylate
CID 22937876
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate (CID 54725314) is ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1c(O)c2sccc2c(=O)n1CC(C)(C)C.
What is the InChIKey of ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is KTNRFLDKYOTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-5-20-14(19)10-11(17)12-9(6-7-21-12)13(18)16(10)8-15(2,3)4/h6-7,17H,5,8H2,1-4H3.
What are the key properties of ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate?
ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpropyl)-7-hydroxy-4-oxothieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 54725314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).