(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium

C24H20FNP+ — CID 135032973

IUPAC(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium
SMILESCc1cnc(F)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNP/c1-19-18-26-24(25)17-23(19)27(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/q+1
InChIKeyLBJIHBHKXNPEOY-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.15
Rot. Bonds4

About (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium

(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium (PubChem CID 135032973) has the molecular formula C24H20FNP+ and a molecular weight of 372.40 g/mol. Its IUPAC name is (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium
PubChem CID135032973
Molecular FormulaC24H20FNP+
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium
SMILESCc1cnc(F)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNP/c1-19-18-26-24(25)17-23(19)27(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/q+1
InChIKeyLBJIHBHKXNPEOY-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.15
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

4-Styrylpyridine
CID 641098
3-Benzhydrylpyridine
CID 77251
2-Pyridyldiphenylphosphine
CID 621893
4-Benzhydrylpyridine
CID 77252
4-Propylpyridine
CID 70738
Benzylviologen
CID 14196
4-(2,2-Diphenylethenyl)pyridine
CID 4594970
3-[(Z)-2-phenylvinyl]pyridine
CID 6540056
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
4-(4-Phenylbutyl)pyridine
CID 225010

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium?
The IUPAC name of (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium (CID 135032973) is (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium.
What is the SMILES notation for (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium?
The canonical SMILES for (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium is Cc1cnc(F)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium?
The InChIKey is LBJIHBHKXNPEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNP/c1-19-18-26-24(25)17-23(19)27(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/q+1.
What are the key properties of (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium?
(2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium has a molecular weight of 372.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methyl-4-pyridinyl)-triphenylphosphanium is sourced from PubChem (CID 135032973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).