3-fluoro-6-phenyl-2H-pyridin-5-one;iridium

C11H7FIrNO- — CID 58983147

IUPAC3-fluoro-6-phenyl-2H-pyridin-5-one;iridium
SMILESO=C1C=C(F)CN=C1c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H7FNO.Ir/c12-9-6-10(14)11(13-7-9)8-4-2-1-3-5-8;/h1-4,6H,7H2;/q-1;
InChIKeyUMVYEPBKPKLORU-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.71
Rot. Bonds1

About 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium

3-fluoro-6-phenyl-2H-pyridin-5-one;iridium (PubChem CID 58983147) has the molecular formula C11H7FIrNO- and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium.

Molecular Properties

Compound Name3-fluoro-6-phenyl-2H-pyridin-5-one;iridium
PubChem CID58983147
Molecular FormulaC11H7FIrNO-
Molecular Weight380.40 g/mol
Exact Mass381.01
IUPAC Name3-fluoro-6-phenyl-2H-pyridin-5-one;iridium
SMILESO=C1C=C(F)CN=C1c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H7FNO.Ir/c12-9-6-10(14)11(13-7-9)8-4-2-1-3-5-8;/h1-4,6H,7H2;/q-1;
InChIKeyUMVYEPBKPKLORU-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-6-phenyl-2H-pyridin-5-one;iridium?
The IUPAC name of 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium (CID 58983147) is 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium.
What is the SMILES notation for 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium?
The canonical SMILES for 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium is O=C1C=C(F)CN=C1c1[c-]cccc1.[Ir].
What is the InChIKey of 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium?
The InChIKey is UMVYEPBKPKLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FNO.Ir/c12-9-6-10(14)11(13-7-9)8-4-2-1-3-5-8;/h1-4,6H,7H2;/q-1;.
What are the key properties of 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium?
3-fluoro-6-phenyl-2H-pyridin-5-one;iridium has a molecular weight of 380.40 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-phenyl-2H-pyridin-5-one;iridium is sourced from PubChem (CID 58983147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).