2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine

C18H16N3O3P — CID 90680283

IUPAC2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine
SMILESO=P(N/N=C/c1ccccn1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16N3O3P/c22-25(23-17-10-3-1-4-11-17,24-18-12-5-2-6-13-18)21-20-15-16-9-7-8-14-19-16/h1-15H,(H,21,22)/b20-15+
InChIKeyMMJQFCBXUTWZDZ-HMMYKYKNSA-N
MW353.32 g/mol
LogP4.27
Rot. Bonds7

About 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine

2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine (PubChem CID 90680283) has the molecular formula C18H16N3O3P and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine.

Molecular Properties

Compound Name2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine
PubChem CID90680283
Molecular FormulaC18H16N3O3P
Molecular Weight353.32 g/mol
Exact Mass353.09
IUPAC Name2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine
SMILESO=P(N/N=C/c1ccccn1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16N3O3P/c22-25(23-17-10-3-1-4-11-17,24-18-12-5-2-6-13-18)21-20-15-16-9-7-8-14-19-16/h1-15H,(H,21,22)/b20-15+
InChIKeyMMJQFCBXUTWZDZ-HMMYKYKNSA-N
XLogP4.27
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine?
The IUPAC name of 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine (CID 90680283) is 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine.
What is the SMILES notation for 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine?
The canonical SMILES for 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine is O=P(N/N=C/c1ccccn1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine?
The InChIKey is MMJQFCBXUTWZDZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H16N3O3P/c22-25(23-17-10-3-1-4-11-17,24-18-12-5-2-6-13-18)21-20-15-16-9-7-8-14-19-16/h1-15H,(H,21,22)/b20-15+.
What are the key properties of 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine?
2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine has a molecular weight of 353.32 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine is sourced from PubChem (CID 90680283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).