3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium

C13H17IrN3-2 — CID 58106945

IUPAC3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]nccc2)[CH-]1.[Ir]
InChIInChI=1S/C13H17N3.Ir/c1-4-15-8-9-16(11-15)13(2,3)12-6-5-7-14-10-12;/h5-9,11H,4H2,1-3H3;/q-2;
InChIKeyZVHBMSPHQMLAJN-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.34
Rot. Bonds3

About 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium

3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium (PubChem CID 58106945) has the molecular formula C13H17IrN3-2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium.

Molecular Properties

Compound Name3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium
PubChem CID58106945
Molecular FormulaC13H17IrN3-2
Molecular Weight407.52 g/mol
Exact Mass408.11
IUPAC Name3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]nccc2)[CH-]1.[Ir]
InChIInChI=1S/C13H17N3.Ir/c1-4-15-8-9-16(11-15)13(2,3)12-6-5-7-14-10-12;/h5-9,11H,4H2,1-3H3;/q-2;
InChIKeyZVHBMSPHQMLAJN-UHFFFAOYSA-N
XLogP2.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium?
The IUPAC name of 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium (CID 58106945) is 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium.
What is the SMILES notation for 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium?
The canonical SMILES for 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium is CCN1C=CN(C(C)(C)c2[c-]nccc2)[CH-]1.[Ir].
What is the InChIKey of 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium?
The InChIKey is ZVHBMSPHQMLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.Ir/c1-4-15-8-9-16(11-15)13(2,3)12-6-5-7-14-10-12;/h5-9,11H,4H2,1-3H3;/q-2;.
What are the key properties of 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium?
3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium has a molecular weight of 407.52 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2H-pyridin-2-ide;iridium is sourced from PubChem (CID 58106945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).