(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium

C24H20ClNOP+ — CID 178117623

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium
SMILESO=c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c[nH]1
InChIInChI=1S/C24H19ClNOP/c25-23-17-26-24(27)16-19(23)18-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18H2/p+1
InChIKeyQUWJRDPXCNYTRP-UHFFFAOYSA-O
MW404.86 g/mol
LogP4.52
Rot. Bonds5

About (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium

(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium (PubChem CID 178117623) has the molecular formula C24H20ClNOP+ and a molecular weight of 404.86 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium
PubChem CID178117623
Molecular FormulaC24H20ClNOP+
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium
SMILESO=c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c[nH]1
InChIInChI=1S/C24H19ClNOP/c25-23-17-26-24(27)16-19(23)18-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18H2/p+1
InChIKeyQUWJRDPXCNYTRP-UHFFFAOYSA-O
XLogP4.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
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 (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium (CID 178117623) is (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium is O=c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c[nH]1.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium?
The InChIKey is QUWJRDPXCNYTRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19ClNOP/c25-23-17-26-24(27)16-19(23)18-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18H2/p+1.
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium?
(5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium has a molecular weight of 404.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 178117623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).