(6-methyl-3-pyridinyl)methyl-triphenylphosphanium

C25H23NP+ — CID 11732193

IUPAC(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
SMILESCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H23NP/c1-21-17-18-22(19-26-21)20-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1
InChIKeyZMESXIVQFDGGPP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.88
Rot. Bonds5

About (6-methyl-3-pyridinyl)methyl-triphenylphosphanium

(6-methyl-3-pyridinyl)methyl-triphenylphosphanium (PubChem CID 11732193) has the molecular formula C25H23NP+ and a molecular weight of 368.44 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
PubChem CID11732193
Molecular FormulaC25H23NP+
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
SMILESCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H23NP/c1-21-17-18-22(19-26-21)20-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1
InChIKeyZMESXIVQFDGGPP-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.88
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

triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide
CID 10896564
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
2-methyl-3-(6-methyl-3-pyridinyl)propan-1-ol
CID 64666706
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
CID 86741343
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)methyl-triphenylphosphanium?
The IUPAC name of (6-methyl-3-pyridinyl)methyl-triphenylphosphanium (CID 11732193) is (6-methyl-3-pyridinyl)methyl-triphenylphosphanium.
What is the SMILES notation for (6-methyl-3-pyridinyl)methyl-triphenylphosphanium?
The canonical SMILES for (6-methyl-3-pyridinyl)methyl-triphenylphosphanium is Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)methyl-triphenylphosphanium?
The InChIKey is ZMESXIVQFDGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP/c1-21-17-18-22(19-26-21)20-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1.
What are the key properties of (6-methyl-3-pyridinyl)methyl-triphenylphosphanium?
(6-methyl-3-pyridinyl)methyl-triphenylphosphanium has a molecular weight of 368.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)methyl-triphenylphosphanium is sourced from PubChem (CID 11732193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).