2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium

C13H10F2IrN- — CID 59404034

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium
SMILESCc1cnc(-c2[c-]cc(F)cc2F)cc1C.[Ir]
InChIInChI=1S/C13H10F2N.Ir/c1-8-5-13(16-7-9(8)2)11-4-3-10(14)6-12(11)15;/h3,5-7H,1-2H3;/q-1;
InChIKeyYOGDSMXWSJFSPA-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.44
Rot. Bonds1

About 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium

2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium (PubChem CID 59404034) has the molecular formula C13H10F2IrN- and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium
PubChem CID59404034
Molecular FormulaC13H10F2IrN-
Molecular Weight410.44 g/mol
Exact Mass411.04
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium
SMILESCc1cnc(-c2[c-]cc(F)cc2F)cc1C.[Ir]
InChIInChI=1S/C13H10F2N.Ir/c1-8-5-13(16-7-9(8)2)11-4-3-10(14)6-12(11)15;/h3,5-7H,1-2H3;/q-1;
InChIKeyYOGDSMXWSJFSPA-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine)
CID 167994726
bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine)
CID 167994729
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;1-hydroxyethylideneoxidanium;iridium
CID 58986552
carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;hexafluorophosphate
CID 165430906
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
CID 155643108
chloroiridium(2+);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);1H-pyrazole
CID 59716124
bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine);iridium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;hexafluorophosphate
CID 165430902
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;iridium;pyrazine-2-carboxylic acid
CID 91865877
4-tert-butyl-2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-tert-butyl-2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
CID 59439796
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;5-phenyl-2-phenylpyridine
CID 168823172
bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);4-fluoro-2-(4-fluoro-2-pyridinyl)pyridine;iridium(3+);hexafluorophosphate
CID 165430905

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium (CID 59404034) is 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium is Cc1cnc(-c2[c-]cc(F)cc2F)cc1C.[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium?
The InChIKey is YOGDSMXWSJFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N.Ir/c1-8-5-13(16-7-9(8)2)11-4-3-10(14)6-12(11)15;/h3,5-7H,1-2H3;/q-1;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium?
2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium has a molecular weight of 410.44 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium is sourced from PubChem (CID 59404034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).