(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride

C25H23ClNP — CID 86144127

IUPAC(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride
SMILESCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)n1.[Cl-]
InChIInChI=1S/C25H23NP.ClH/c1-21-12-11-13-22(26-21)20-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-19H,20H2,1H3;1H/q+1;/p-1
InChIKeySJBWRLLGKFVUFE-UHFFFAOYSA-M
MW403.89 g/mol
LogP1.89
Rot. Bonds5

About (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride

(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride (PubChem CID 86144127) has the molecular formula C25H23ClNP and a molecular weight of 403.89 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride
PubChem CID86144127
Molecular FormulaC25H23ClNP
Molecular Weight403.89 g/mol
Exact Mass403.13
IUPAC Name(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride
SMILESCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)n1.[Cl-]
InChIInChI=1S/C25H23NP.ClH/c1-21-12-11-13-22(26-21)20-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-19H,20H2,1H3;1H/q+1;/p-1
InChIKeySJBWRLLGKFVUFE-UHFFFAOYSA-M
XLogP1.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 51.89
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 (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride (CID 86144127) is (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride is Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)n1.[Cl-].
What is the InChIKey of (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride?
The InChIKey is SJBWRLLGKFVUFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23NP.ClH/c1-21-12-11-13-22(26-21)20-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-19H,20H2,1H3;1H/q+1;/p-1.
What are the key properties of (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride?
(6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride has a molecular weight of 403.89 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 86144127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).