2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide

C15H12Cl3N3O4 — CID 11668575

IUPAC2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3O4/c1-24-11-5-3-2-4-8(11)14(23)21-20-12(22)7-25-15-10(17)6-9(16)13(18)19-15/h2-6H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyMQXWRTZOSLSSDC-UHFFFAOYSA-N
MW404.64 g/mol
LogP2.89
Rot. Bonds5

About 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide

2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide (PubChem CID 11668575) has the molecular formula C15H12Cl3N3O4 and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
PubChem CID11668575
Molecular FormulaC15H12Cl3N3O4
Molecular Weight404.64 g/mol
Exact Mass402.99
IUPAC Name2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3O4/c1-24-11-5-3-2-4-8(11)14(23)21-20-12(22)7-25-15-10(17)6-9(16)13(18)19-15/h2-6H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyMQXWRTZOSLSSDC-UHFFFAOYSA-N
XLogP2.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The IUPAC name of 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide (CID 11668575) is 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The canonical SMILES for 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide is COc1ccccc1C(=O)NNC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The InChIKey is MQXWRTZOSLSSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O4/c1-24-11-5-3-2-4-8(11)14(23)21-20-12(22)7-25-15-10(17)6-9(16)13(18)19-15/h2-6H,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide has a molecular weight of 404.64 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide is sourced from PubChem (CID 11668575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).