3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine

C23H19N2OP — CID 71520492

IUPAC3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H
InChIKeyPOZWXIVIAWFJOK-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.58
Rot. Bonds5

About 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine

3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine (PubChem CID 71520492) has the molecular formula C23H19N2OP and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine
PubChem CID71520492
Molecular FormulaC23H19N2OP
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H
InChIKeyPOZWXIVIAWFJOK-UHFFFAOYSA-N
XLogP4.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine?
The IUPAC name of 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine (CID 71520492) is 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine is O=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine?
The InChIKey is POZWXIVIAWFJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H.
What are the key properties of 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine?
3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine has a molecular weight of 370.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphenylphosphoryl(pyridin-3-yl)methyl]pyridine is sourced from PubChem (CID 71520492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).