(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide

C24H20BrClNP — CID 86633273

IUPAC(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
SMILESClc1ncccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H20ClNP.BrH/c25-24-20(11-10-18-26-24)19-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyGRELXBBHMOIPHO-UHFFFAOYSA-M
MW468.76 g/mol
LogP2.23
Rot. Bonds5

About (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide

(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide (PubChem CID 86633273) has the molecular formula C24H20BrClNP and a molecular weight of 468.76 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
PubChem CID86633273
Molecular FormulaC24H20BrClNP
Molecular Weight468.76 g/mol
Exact Mass467.02
IUPAC Name(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
SMILESClc1ncccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H20ClNP.BrH/c25-24-20(11-10-18-26-24)19-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyGRELXBBHMOIPHO-UHFFFAOYSA-M
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.76
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-chloropyrazin-2-yl)methyl-triphenylphosphanium
CID 122585891
3-benzyl-2-chloropyridine
CID 22768075
sodium;azanide;triphenyl(pyridin-2-ylmethyl)phosphanium;chloride
CID 172720395
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
(2,5-dichlorothiophen-3-yl)methyl-triphenylphosphanium chloride
CID 86633161
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide (CID 86633273) is (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide is Clc1ncccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide?
The InChIKey is GRELXBBHMOIPHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20ClNP.BrH/c25-24-20(11-10-18-26-24)19-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;/p-1.
What are the key properties of (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide?
(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide has a molecular weight of 468.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 86633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).