(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium

C23H18FN3OP+ — CID 24888157

IUPAC(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium
SMILESO=Cc1ccc(C[P+](c2ccncc2)(c2ccncc2)c2ccncc2)cc1[18F]
InChIInChI=1S/C23H18FN3OP/c24-23-15-18(1-2-19(23)16-28)17-29(20-3-9-25-10-4-20,21-5-11-26-12-6-21)22-7-13-27-14-8-22/h1-16H,17H2/q+1/i24-1
InChIKeyRSQOVIGBQVGINE-MIGPCILRSA-N
MW401.39 g/mol
LogP3.32
Rot. Bonds6

About (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium

(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium (PubChem CID 24888157) has the molecular formula C23H18FN3OP+ and a molecular weight of 401.39 g/mol. Its IUPAC name is (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium.

Molecular Properties

Compound Name(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium
PubChem CID24888157
Molecular FormulaC23H18FN3OP+
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium
SMILESO=Cc1ccc(C[P+](c2ccncc2)(c2ccncc2)c2ccncc2)cc1[18F]
InChIInChI=1S/C23H18FN3OP/c24-23-15-18(1-2-19(23)16-28)17-29(20-3-9-25-10-4-20,21-5-11-26-12-6-21)22-7-13-27-14-8-22/h1-16H,17H2/q+1/i24-1
InChIKeyRSQOVIGBQVGINE-MIGPCILRSA-N
XLogP3.32
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-2-fluorobenzaldehyde
CID 91032796
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
CID 58047174
[4-[(3-fluoro-4-formylphenyl)methyl]phenyl]carbamic acid
CID 174187468
CID 88874585
CID 88874585
2-fluoro-6-pyridin-4-ylpyridine-3-carbaldehyde
CID 131869660
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
CID 86741343
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
CID 22385338
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-fluorobenzaldehyde
CID 79817070

Frequently Asked Questions

What is the IUPAC name of (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium?
The IUPAC name of (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium (CID 24888157) is (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium.
What is the SMILES notation for (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium?
The canonical SMILES for (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium is O=Cc1ccc(C[P+](c2ccncc2)(c2ccncc2)c2ccncc2)cc1[18F].
What is the InChIKey of (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium?
The InChIKey is RSQOVIGBQVGINE-MIGPCILRSA-N. The full InChI is InChI=1S/C23H18FN3OP/c24-23-15-18(1-2-19(23)16-28)17-29(20-3-9-25-10-4-20,21-5-11-26-12-6-21)22-7-13-27-14-8-22/h1-16H,17H2/q+1/i24-1.
What are the key properties of (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium?
(3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium has a molecular weight of 401.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-(18F)fluoro-4-formylphenyl)methyl-tripyridin-4-ylphosphanium is sourced from PubChem (CID 24888157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).