[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate

C13H9Cl2N3O4S — CID 9119825

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H9Cl2N3O4S/c14-7-3-4-9(15)16-11(7)13(21)22-6-10(19)17-18-12(20)8-2-1-5-23-8/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyXZFLQWNLZHYLJS-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.07
Rot. Bonds4

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 9119825) has the molecular formula C13H9Cl2N3O4S and a molecular weight of 374.21 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID9119825
Molecular FormulaC13H9Cl2N3O4S
Molecular Weight374.21 g/mol
Exact Mass372.97
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H9Cl2N3O4S/c14-7-3-4-9(15)16-11(7)13(21)22-6-10(19)17-18-12(20)8-2-1-5-23-8/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyXZFLQWNLZHYLJS-UHFFFAOYSA-N
XLogP2.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate (CID 9119825) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate is O=C(COC(=O)c1nc(Cl)ccc1Cl)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is XZFLQWNLZHYLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O4S/c14-7-3-4-9(15)16-11(7)13(21)22-6-10(19)17-18-12(20)8-2-1-5-23-8/h1-5H,6H2,(H,17,19)(H,18,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 374.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 9119825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).