(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid

C20H19F2IrN2O2Si- — CID 140743566

IUPAC(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
SMILESC[Si](C)(C)c1c(F)c[c-]c(-c2ccccn2)c1F.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C14H14F2NSi.C6H5NO2.Ir/c1-18(2,3)14-11(15)8-7-10(13(14)16)12-6-4-5-9-17-12;8-6(9)5-3-1-2-4-7-5;/h4-6,8-9H,1-3H3;1-4H,(H,8,9);/q-1;;
InChIKeyDIPLKAMDMLHPEH-UHFFFAOYSA-N
MW577.68 g/mol
LogP4.15
Rot. Bonds3

About (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid

(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid (PubChem CID 140743566) has the molecular formula C20H19F2IrN2O2Si- and a molecular weight of 577.68 g/mol. Its IUPAC name is (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
PubChem CID140743566
Molecular FormulaC20H19F2IrN2O2Si-
Molecular Weight577.68 g/mol
Exact Mass578.08
IUPAC Name(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
SMILESC[Si](C)(C)c1c(F)c[c-]c(-c2ccccn2)c1F.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C14H14F2NSi.C6H5NO2.Ir/c1-18(2,3)14-11(15)8-7-10(13(14)16)12-6-4-5-9-17-12;8-6(9)5-3-1-2-4-7-5;/h4-6,8-9H,1-3H3;1-4H,(H,8,9);/q-1;;
InChIKeyDIPLKAMDMLHPEH-UHFFFAOYSA-N
XLogP4.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);iridium;pyridine-2-carboxylic acid
CID 172916060
(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;iridium
CID 140743570
iridium;pyridine-2-carboxylic acid;2-(3,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 170539912
gadolinium;pyridine-2-carboxylic acid
CID 175231422
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);iridium(3+);3H-pyridin-3-ide-2-carboxylic acid
CID 155758076
2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;iridium;4-methylpyridine-2-carboxylic acid
CID 168848334
2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;iridium
CID 58880833
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid?
The IUPAC name of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid (CID 140743566) is (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid.
What is the SMILES notation for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid?
The canonical SMILES for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid is C[Si](C)(C)c1c(F)c[c-]c(-c2ccccn2)c1F.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid?
The InChIKey is DIPLKAMDMLHPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2NSi.C6H5NO2.Ir/c1-18(2,3)14-11(15)8-7-10(13(14)16)12-6-4-5-9-17-12;8-6(9)5-3-1-2-4-7-5;/h4-6,8-9H,1-3H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid?
(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid has a molecular weight of 577.68 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid is sourced from PubChem (CID 140743566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).