7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid

C12H15N3O3S — CID 54277814

IUPAC7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCNN=C1Cc2c(n(CC)cc(C(=O)O)c2=O)S1
InChIInChI=1S/C12H15N3O3S/c1-3-13-14-9-5-7-10(16)8(12(17)18)6-15(4-2)11(7)19-9/h6,13H,3-5H2,1-2H3,(H,17,18)
InChIKeyROQTWERHNKTYHO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.14
Rot. Bonds4

About 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid

7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 54277814) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID54277814
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCNN=C1Cc2c(n(CC)cc(C(=O)O)c2=O)S1
InChIInChI=1S/C12H15N3O3S/c1-3-13-14-9-5-7-10(16)8(12(17)18)6-15(4-2)11(7)19-9/h6,13H,3-5H2,1-2H3,(H,17,18)
InChIKeyROQTWERHNKTYHO-UHFFFAOYSA-N
XLogP1.14
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid (CID 54277814) is 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid is CCNN=C1Cc2c(n(CC)cc(C(=O)O)c2=O)S1.
What is the InChIKey of 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is ROQTWERHNKTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-13-14-9-5-7-10(16)8(12(17)18)6-15(4-2)11(7)19-9/h6,13H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid?
7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 54277814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).