2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide

C19H10F5IrN3O2-2 — CID 20807189

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.O=C([N-]C(=O)C(F)(F)F)c1ccccn1.[Ir]
InChIInChI=1S/C11H6F2N.C8H5F3N2O2.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7(15)13-6(14)5-3-1-2-4-12-5;/h1-4,6-7H;1-4H,(H,13,14,15);/q-1;;/p-1
InChIKeyYLFTUWBRUFTQLV-UHFFFAOYSA-M
MW599.52 g/mol
LogP4.51
Rot. Bonds2

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide (PubChem CID 20807189) has the molecular formula C19H10F5IrN3O2-2 and a molecular weight of 599.52 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide
PubChem CID20807189
Molecular FormulaC19H10F5IrN3O2-2
Molecular Weight599.52 g/mol
Exact Mass600.03
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.O=C([N-]C(=O)C(F)(F)F)c1ccccn1.[Ir]
InChIInChI=1S/C11H6F2N.C8H5F3N2O2.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7(15)13-6(14)5-3-1-2-4-12-5;/h1-4,6-7H;1-4H,(H,13,14,15);/q-1;;/p-1
InChIKeyYLFTUWBRUFTQLV-UHFFFAOYSA-M
XLogP4.51
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide with MolForge

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Related Compounds

Pyrocoll
CID 10241527
Sorazinone A
CID 101889904
N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 2746363
Pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
CID 56789032
Bis(2-pyridylcarbonyl)amine
CID 146494
Copper chelate
CID 472011
Acetonitrile;palladium(2+);pyridine-2-carbonyl-[[2-(trifluoromethyl)benzene-6-id-1-yl]methyl]azanide
CID 121225893
Bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate
CID 121225899
Copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate
CID 139126663
(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone
CID 162399271
pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone
CID 162399283
7-(2,3-Difluorobenzyl)-2-(2-pyridinylcarbonyl)-2,7-diazaspiro[4.5]decane
CID 45222518

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide (CID 20807189) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide is Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C([N-]C(=O)C(F)(F)F)c1ccccn1.[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide?
The InChIKey is YLFTUWBRUFTQLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H6F2N.C8H5F3N2O2.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7(15)13-6(14)5-3-1-2-4-12-5;/h1-4,6-7H;1-4H,(H,13,14,15);/q-1;;/p-1.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide has a molecular weight of 599.52 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide is sourced from PubChem (CID 20807189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).