(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride

C25H23ClNOP — CID 22678705

IUPAC(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc1.[Cl-]
InChIInChI=1S/C25H23NOP.ClH/c1-27-22-18-17-21(26-19-22)20-28(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;1H/q+1;/p-1
InChIKeyDYSXXZWOXJHFFO-UHFFFAOYSA-M
MW419.89 g/mol
LogP1.59
Rot. Bonds6

About (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride

(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride (PubChem CID 22678705) has the molecular formula C25H23ClNOP and a molecular weight of 419.89 g/mol. Its IUPAC name is (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
PubChem CID22678705
Molecular FormulaC25H23ClNOP
Molecular Weight419.89 g/mol
Exact Mass419.12
IUPAC Name(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc1.[Cl-]
InChIInChI=1S/C25H23NOP.ClH/c1-27-22-18-17-21(26-19-22)20-28(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;1H/q+1;/p-1
InChIKeyDYSXXZWOXJHFFO-UHFFFAOYSA-M
XLogP1.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
CID 172720395
1-(5-methoxy-2-pyridinyl)propan-2-ol
CID 83675700
(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride
CID 86735150
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
CID 58901861
5-methoxy-2-propylpyridine
CID 129127600
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
2-(5-methoxy-2-pyridinyl)ethanamine;hydrochloride
CID 86280253
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride (CID 22678705) is (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride is COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc1.[Cl-].
What is the InChIKey of (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride?
The InChIKey is DYSXXZWOXJHFFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23NOP.ClH/c1-27-22-18-17-21(26-19-22)20-28(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;1H/q+1;/p-1.
What are the key properties of (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride?
(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride has a molecular weight of 419.89 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 22678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).