iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid

C19H15IrN2O3- — CID 140522859

IUPACiridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCCc2cccc(-c3[c-]cccc3)n2)n1.[Ir]
InChIInChI=1S/C19H15N2O3.Ir/c22-19(23)17-10-5-11-18(21-17)24-13-12-15-8-4-9-16(20-15)14-6-2-1-3-7-14;/h1-6,8-11H,12-13H2,(H,22,23);/q-1;
InChIKeyUEPQLKUVMCZATO-UHFFFAOYSA-N
MW511.56 g/mol
LogP3.26
Rot. Bonds6

About iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid

iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid (PubChem CID 140522859) has the molecular formula C19H15IrN2O3- and a molecular weight of 511.56 g/mol. Its IUPAC name is iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid
PubChem CID140522859
Molecular FormulaC19H15IrN2O3-
Molecular Weight511.56 g/mol
Exact Mass512.07
IUPAC Nameiridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCCc2cccc(-c3[c-]cccc3)n2)n1.[Ir]
InChIInChI=1S/C19H15N2O3.Ir/c22-19(23)17-10-5-11-18(21-17)24-13-12-15-8-4-9-16(20-15)14-6-2-1-3-7-14;/h1-6,8-11H,12-13H2,(H,22,23);/q-1;
InChIKeyUEPQLKUVMCZATO-UHFFFAOYSA-N
XLogP3.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid (CID 140522859) is iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid is O=C(O)c1cccc(OCCc2cccc(-c3[c-]cccc3)n2)n1.[Ir].
What is the InChIKey of iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is UEPQLKUVMCZATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2O3.Ir/c22-19(23)17-10-5-11-18(21-17)24-13-12-15-8-4-9-16(20-15)14-6-2-1-3-7-14;/h1-6,8-11H,12-13H2,(H,22,23);/q-1;.
What are the key properties of iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 511.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-[2-(6-phenyl-2-pyridinyl)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 140522859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).