(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide

C30H25BrNOP — CID 21282155

IUPAC(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide
SMILES[Br-].c1ccc(Oc2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C30H25NOP.BrH/c1-5-15-26(16-6-1)32-30-23-13-14-25(31-30)24-33(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;/h1-23H,24H2;1H/q+1;/p-1
InChIKeyCEQSLZGGUFLPJV-UHFFFAOYSA-M
MW526.41 g/mol
LogP3.37
Rot. Bonds7

About (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide

(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide (PubChem CID 21282155) has the molecular formula C30H25BrNOP and a molecular weight of 526.41 g/mol. Its IUPAC name is (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide
PubChem CID21282155
Molecular FormulaC30H25BrNOP
Molecular Weight526.41 g/mol
Exact Mass525.09
IUPAC Name(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide
SMILES[Br-].c1ccc(Oc2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C30H25NOP.BrH/c1-5-15-26(16-6-1)32-30-23-13-14-25(31-30)24-33(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;/h1-23H,24H2;1H/q+1;/p-1
InChIKeyCEQSLZGGUFLPJV-UHFFFAOYSA-M
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.41
LogP ≤ 53.37
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

2-ethyl-6-phenoxypyridine
CID 19828151
2-phenoxy-6-(propan-2-yloxymethyl)pyridine
CID 154321381
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-phenoxy-6-(3-phenylpropyl)pyridine
CID 59649755
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
(1-methylpyrrolo[2,3-b]pyridin-6-yl)methyl-triphenylphosphanium bromide
CID 165027321
2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
CID 57138403
sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
CID 172720395
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine
CID 87974377
(1-methylpyrrolo[2,3-b]pyridin-6-yl)methyl-triphenylphosphanium
CID 164710370

Frequently Asked Questions

What is the IUPAC name of (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide (CID 21282155) is (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide is [Br-].c1ccc(Oc2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide?
The InChIKey is CEQSLZGGUFLPJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H25NOP.BrH/c1-5-15-26(16-6-1)32-30-23-13-14-25(31-30)24-33(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;/h1-23H,24H2;1H/q+1;/p-1.
What are the key properties of (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide?
(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide has a molecular weight of 526.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 21282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).