3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate

C20H13FN2O3Pd — CID 139097439

IUPAC3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate
SMILESCC(=O)[O-].[O-]c1cccc(F)c1-c1ccc2ccc3cccnc3c2n1.[Pd+2]
InChIInChI=1S/C18H11FN2O.C2H4O2.Pd/c19-13-4-1-5-15(22)16(13)14-9-8-12-7-6-11-3-2-10-20-17(11)18(12)21-14;1-2(3)4;/h1-10,22H;1H3,(H,3,4);/q;;+2/p-2
InChIKeySZFZJFAZRHQMAB-UHFFFAOYSA-L
MW454.75 g/mol
LogP2.42
Rot. Bonds1

About 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate

3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate (PubChem CID 139097439) has the molecular formula C20H13FN2O3Pd and a molecular weight of 454.75 g/mol. Its IUPAC name is 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate.

Molecular Properties

Compound Name3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate
PubChem CID139097439
Molecular FormulaC20H13FN2O3Pd
Molecular Weight454.75 g/mol
Exact Mass453.99
IUPAC Name3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate
SMILESCC(=O)[O-].[O-]c1cccc(F)c1-c1ccc2ccc3cccnc3c2n1.[Pd+2]
InChIInChI=1S/C18H11FN2O.C2H4O2.Pd/c19-13-4-1-5-15(22)16(13)14-9-8-12-7-6-11-3-2-10-20-17(11)18(12)21-14;1-2(3)4;/h1-10,22H;1H3,(H,3,4);/q;;+2/p-2
InChIKeySZFZJFAZRHQMAB-UHFFFAOYSA-L
XLogP2.42
TPSA88.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 59381361
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
2,2'-Biphenol-1,10-phenanthroline (1/1)
CID 139056594
Benzene-1,2-diolate;palladium(2+);1,10-phenanthroline;dihydrate
CID 139066065
{3-[(E)-(5-Bromo-2-oxidophenyl)methyleneamino]propanoato-k^3^O,N,O'}(1,10-phenanthroline-k^2^N,N')copper(II) dihydrate
CID 139071161
Oxido[N-(2-oxidobenzylidene-kappaO)leucinato-kappa^2^N,O](1,10-phenanthroline-kappa^2^N,N')vanadium(IV)
CID 139084174
Copper;3-[(2-oxidophenyl)methylamino]propanoate;1,10-phenanthroline;dihydrate
CID 139133928
(2S)-4-methylsulfanyl-2-[(2-oxidophenyl)methylideneamino]butanoate;oxygen(2-);pyrazino[2,3-f][1,10]phenanthroline;vanadium(4+)
CID 139138907
ZINC;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine
CID 139167672
(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;oxygen(2-);1,10-phenanthroline;vanadium(4+)
CID 139177609
copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
CID 139177738
(Z)-4-oxopent-2-en-2-olate;oxygen(2-);2-(quinolin-8-yliminomethyl)phenolate;vanadium(4+)
CID 139177804

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate?
The IUPAC name of 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate (CID 139097439) is 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate.
What is the SMILES notation for 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate?
The canonical SMILES for 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate is CC(=O)[O-].[O-]c1cccc(F)c1-c1ccc2ccc3cccnc3c2n1.[Pd+2].
What is the InChIKey of 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate?
The InChIKey is SZFZJFAZRHQMAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H11FN2O.C2H4O2.Pd/c19-13-4-1-5-15(22)16(13)14-9-8-12-7-6-11-3-2-10-20-17(11)18(12)21-14;1-2(3)4;/h1-10,22H;1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate?
3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate has a molecular weight of 454.75 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1,10-phenanthrolin-2-yl)phenolate;palladium(2+);acetate is sourced from PubChem (CID 139097439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).