sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride

C24H23ClN2NaP — CID 172720395

IUPACsodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
SMILES[Cl-].[NH2-].[Na+].c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH.H2N.Na/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21;;;/h1-19H,20H2;1H;1H2;/q+1;;-1;+1/p-1
InChIKeyGKWPEJROWRVSHO-UHFFFAOYSA-M
MW428.88 g/mol
LogP-0.70
Rot. Bonds5

About sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride

sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride (PubChem CID 172720395) has the molecular formula C24H23ClN2NaP and a molecular weight of 428.88 g/mol. Its IUPAC name is sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride.

Molecular Properties

Compound Namesodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
PubChem CID172720395
Molecular FormulaC24H23ClN2NaP
Molecular Weight428.88 g/mol
Exact Mass428.12
IUPAC Namesodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
SMILES[Cl-].[NH2-].[Na+].c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH.H2N.Na/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21;;;/h1-19H,20H2;1H;1H2;/q+1;;-1;+1/p-1
InChIKeyGKWPEJROWRVSHO-UHFFFAOYSA-M
XLogP-0.70
TPSA46.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 5-0.70
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

(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
CID 22678705
(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
CID 86633273
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
CID 88932015
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
1,2-dipyridin-2-ylethanol
CID 11458306
pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
CID 11513273
phenyl(pyridin-2-ylmethyl)diazene
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Frequently Asked Questions

What is the IUPAC name of sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride?
The IUPAC name of sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride (CID 172720395) is sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride.
What is the SMILES notation for sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride?
The canonical SMILES for sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride is [Cl-].[NH2-].[Na+].c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride?
The InChIKey is GKWPEJROWRVSHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21NP.ClH.H2N.Na/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21;;;/h1-19H,20H2;1H;1H2;/q+1;;-1;+1/p-1.
What are the key properties of sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride?
sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride has a molecular weight of 428.88 g/mol, XLogP of -0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride is sourced from PubChem (CID 172720395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).