2-(diphenylphosphorylmethyl)pyridine

C18H16NOP — CID 780088

IUPAC2-(diphenylphosphorylmethyl)pyridine
SMILESO=P(Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NOP/c20-21(17-10-3-1-4-11-17,18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-14H,15H2
InChIKeyLSPLDENUOBBLOB-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.60
Rot. Bonds4

About 2-(diphenylphosphorylmethyl)pyridine

2-(diphenylphosphorylmethyl)pyridine (PubChem CID 780088) has the molecular formula C18H16NOP and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(diphenylphosphorylmethyl)pyridine.

Molecular Properties

Compound Name2-(diphenylphosphorylmethyl)pyridine
PubChem CID780088
Molecular FormulaC18H16NOP
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name2-(diphenylphosphorylmethyl)pyridine
SMILESO=P(Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NOP/c20-21(17-10-3-1-4-11-17,18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-14H,15H2
InChIKeyLSPLDENUOBBLOB-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylmethyl)pyridine?
The IUPAC name of 2-(diphenylphosphorylmethyl)pyridine (CID 780088) is 2-(diphenylphosphorylmethyl)pyridine.
What is the SMILES notation for 2-(diphenylphosphorylmethyl)pyridine?
The canonical SMILES for 2-(diphenylphosphorylmethyl)pyridine is O=P(Cc1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphorylmethyl)pyridine?
The InChIKey is LSPLDENUOBBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NOP/c20-21(17-10-3-1-4-11-17,18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-14H,15H2.
What are the key properties of 2-(diphenylphosphorylmethyl)pyridine?
2-(diphenylphosphorylmethyl)pyridine has a molecular weight of 293.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylmethyl)pyridine is sourced from PubChem (CID 780088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).