methyl-diphenyl-pyridin-4-ylphosphanium

C18H17NP+ — CID 4829632

IUPACmethyl-diphenyl-pyridin-4-ylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H17NP/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19-15-13-18/h2-15H,1H3/q+1
InChIKeyWJRMFQLIINKLIH-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.01
Rot. Bonds3

About methyl-diphenyl-pyridin-4-ylphosphanium

methyl-diphenyl-pyridin-4-ylphosphanium (PubChem CID 4829632) has the molecular formula C18H17NP+ and a molecular weight of 278.32 g/mol. Its IUPAC name is methyl-diphenyl-pyridin-4-ylphosphanium.

Molecular Properties

Compound Namemethyl-diphenyl-pyridin-4-ylphosphanium
PubChem CID4829632
Molecular FormulaC18H17NP+
Molecular Weight278.32 g/mol
Exact Mass278.11
IUPAC Namemethyl-diphenyl-pyridin-4-ylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H17NP/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19-15-13-18/h2-15H,1H3/q+1
InChIKeyWJRMFQLIINKLIH-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
bis(methyl(triphenyl)phosphanium) ditriiodide
CID 139175136
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
9H-fluorene;methyl(triphenyl)phosphanium;iodide
CID 174597784
diphenyl-propan-2-yl-pyridin-3-ylphosphanium
CID 153484681
chloro(diphenyl)stibane;methyl(triphenyl)phosphanium
CID 157067875
methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
CID 86744861
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
4-benzhydrylpyridine;ethane
CID 90843990
methyl carbonobromidate;methyl(triphenyl)phosphanium
CID 146562792
methyl-diphenyl-(2-trimethylsilylphenyl)phosphanium
CID 86241586

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-pyridin-4-ylphosphanium?
The IUPAC name of methyl-diphenyl-pyridin-4-ylphosphanium (CID 4829632) is methyl-diphenyl-pyridin-4-ylphosphanium.
What is the SMILES notation for methyl-diphenyl-pyridin-4-ylphosphanium?
The canonical SMILES for methyl-diphenyl-pyridin-4-ylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccncc1.
What is the InChIKey of methyl-diphenyl-pyridin-4-ylphosphanium?
The InChIKey is WJRMFQLIINKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NP/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19-15-13-18/h2-15H,1H3/q+1.
What are the key properties of methyl-diphenyl-pyridin-4-ylphosphanium?
methyl-diphenyl-pyridin-4-ylphosphanium has a molecular weight of 278.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-pyridin-4-ylphosphanium is sourced from PubChem (CID 4829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).