2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol

C17H14FIrN2O- — CID 23568200

IUPAC2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol
SMILESFc1c[c-]c(-c2ccccn2)cc1.OCc1ccccn1.[Ir]
InChIInChI=1S/C11H7FN.C6H7NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-5-6-3-1-2-4-7-6;/h1-4,6-8H;1-4,8H,5H2;/q-1;;
InChIKeyCKYVRYXLKHPMGG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol

2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol (PubChem CID 23568200) has the molecular formula C17H14FIrN2O- and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol
PubChem CID23568200
Molecular FormulaC17H14FIrN2O-
Molecular Weight473.53 g/mol
Exact Mass474.07
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol
SMILESFc1c[c-]c(-c2ccccn2)cc1.OCc1ccccn1.[Ir]
InChIInChI=1S/C11H7FN.C6H7NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-5-6-3-1-2-4-7-6;/h1-4,6-8H;1-4,8H,5H2;/q-1;;
InChIKeyCKYVRYXLKHPMGG-UHFFFAOYSA-N
XLogP3.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol (CID 23568200) is 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol is Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccccn1.[Ir].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol?
The InChIKey is CKYVRYXLKHPMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN.C6H7NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-5-6-3-1-2-4-7-6;/h1-4,6-8H;1-4,8H,5H2;/q-1;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol?
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol has a molecular weight of 473.53 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethanol is sourced from PubChem (CID 23568200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).