methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride

C24H21ClNP — CID 86744861

IUPACmethyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1cccnc1.[Cl-]
InChIInChI=1S/C24H21NP.ClH/c1-26(21-12-4-2-5-13-21,22-14-6-3-7-15-22)24-17-9-8-16-23(24)20-11-10-18-25-19-20;/h2-19H,1H3;1H/q+1;/p-1
InChIKeyXZDOOHHFNAQZNM-UHFFFAOYSA-M
MW389.87 g/mol
LogP1.68
Rot. Bonds4

About methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride

methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride (PubChem CID 86744861) has the molecular formula C24H21ClNP and a molecular weight of 389.87 g/mol. Its IUPAC name is methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride.

Molecular Properties

Compound Namemethyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
PubChem CID86744861
Molecular FormulaC24H21ClNP
Molecular Weight389.87 g/mol
Exact Mass389.11
IUPAC Namemethyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1cccnc1.[Cl-]
InChIInChI=1S/C24H21NP.ClH/c1-26(21-12-4-2-5-13-21,22-14-6-3-7-15-22)24-17-9-8-16-23(24)20-11-10-18-25-19-20;/h2-19H,1H3;1H/q+1;/p-1
InChIKeyXZDOOHHFNAQZNM-UHFFFAOYSA-M
XLogP1.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride?
The IUPAC name of methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride (CID 86744861) is methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride.
What is the SMILES notation for methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride?
The canonical SMILES for methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1cccnc1.[Cl-].
What is the InChIKey of methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride?
The InChIKey is XZDOOHHFNAQZNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21NP.ClH/c1-26(21-12-4-2-5-13-21,22-14-6-3-7-15-22)24-17-9-8-16-23(24)20-11-10-18-25-19-20;/h2-19H,1H3;1H/q+1;/p-1.
What are the key properties of methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride?
methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride has a molecular weight of 389.87 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride is sourced from PubChem (CID 86744861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).