iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine

C16H18IrNO2- — CID 20735957

IUPACiridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine
SMILESC/C(O)=C/C(C)O.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H10O2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3-4,6-7H,1-2H3;/q-1;;/b;5-3-;
InChIKeyAWIVWNSPAWBDTL-FMFSYIAASA-N
MW448.54 g/mol
LogP3.38
Rot. Bonds2

About iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine

iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine (PubChem CID 20735957) has the molecular formula C16H18IrNO2- and a molecular weight of 448.54 g/mol. Its IUPAC name is iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine
PubChem CID20735957
Molecular FormulaC16H18IrNO2-
Molecular Weight448.54 g/mol
Exact Mass449.10
IUPAC Nameiridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine
SMILESC/C(O)=C/C(C)O.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H10O2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3-4,6-7H,1-2H3;/q-1;;/b;5-3-;
InChIKeyAWIVWNSPAWBDTL-FMFSYIAASA-N
XLogP3.38
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine?
The IUPAC name of iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine (CID 20735957) is iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine.
What is the SMILES notation for iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine?
The canonical SMILES for iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine is C/C(O)=C/C(C)O.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine?
The InChIKey is AWIVWNSPAWBDTL-FMFSYIAASA-N. The full InChI is InChI=1S/C11H8N.C5H10O2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3-4,6-7H,1-2H3;/q-1;;/b;5-3-;.
What are the key properties of iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine?
iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine has a molecular weight of 448.54 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;(Z)-pent-2-ene-2,4-diol;2-phenylpyridine is sourced from PubChem (CID 20735957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).