6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium

C14H17FIrN- — CID 58982975

IUPAC6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium
SMILESCc1cc(C2=NCCCC2(C)C)[c-]cc1F.[Ir]
InChIInChI=1S/C14H17FN.Ir/c1-10-9-11(5-6-12(10)15)13-14(2,3)7-4-8-16-13;/h6,9H,4,7-8H2,1-3H3;/q-1;
InChIKeyAQPGQFGPCOHPBO-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.54
Rot. Bonds1

About 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium

6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium (PubChem CID 58982975) has the molecular formula C14H17FIrN- and a molecular weight of 410.51 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium.

Molecular Properties

Compound Name6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium
PubChem CID58982975
Molecular FormulaC14H17FIrN-
Molecular Weight410.51 g/mol
Exact Mass411.10
IUPAC Name6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium
SMILESCc1cc(C2=NCCCC2(C)C)[c-]cc1F.[Ir]
InChIInChI=1S/C14H17FN.Ir/c1-10-9-11(5-6-12(10)15)13-14(2,3)7-4-8-16-13;/h6,9H,4,7-8H2,1-3H3;/q-1;
InChIKeyAQPGQFGPCOHPBO-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium?
The IUPAC name of 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium (CID 58982975) is 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium.
What is the SMILES notation for 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium?
The canonical SMILES for 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium is Cc1cc(C2=NCCCC2(C)C)[c-]cc1F.[Ir].
What is the InChIKey of 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium?
The InChIKey is AQPGQFGPCOHPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN.Ir/c1-10-9-11(5-6-12(10)15)13-14(2,3)7-4-8-16-13;/h6,9H,4,7-8H2,1-3H3;/q-1;.
What are the key properties of 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium?
6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium has a molecular weight of 410.51 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylbenzene-6-id-1-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;iridium is sourced from PubChem (CID 58982975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).