2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium

C8H5FIrN3- — CID 58814017

IUPAC2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium
SMILESFc1c[c-]n(-c2ccccn2)n1.[Ir]
InChIInChI=1S/C8H5FN3.Ir/c9-7-4-6-12(11-7)8-3-1-2-5-10-8;/h1-5H;/q-1;
InChIKeyXFVUUJSUGBVILG-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.20
Rot. Bonds1

About 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium

2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium (PubChem CID 58814017) has the molecular formula C8H5FIrN3- and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium
PubChem CID58814017
Molecular FormulaC8H5FIrN3-
Molecular Weight354.36 g/mol
Exact Mass355.01
IUPAC Name2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium
SMILESFc1c[c-]n(-c2ccccn2)n1.[Ir]
InChIInChI=1S/C8H5FN3.Ir/c9-7-4-6-12(11-7)8-3-1-2-5-10-8;/h1-5H;/q-1;
InChIKeyXFVUUJSUGBVILG-UHFFFAOYSA-N
XLogP1.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.20
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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Related Compounds

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58814037
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;iridium;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 58814008
iridium;2-(4-methyl-2H-pyrrol-2-id-1-yl)pyridine
CID 58814052
2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine
CID 149347269
3-(5-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazol-4-amine
CID 83216889
ethane;2-fluoropyridine
CID 143559643
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
CID 58036374
CID 58036374
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-(tetrazol-1-yl)pyridine
CID 11679840

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium?
The IUPAC name of 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium (CID 58814017) is 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium.
What is the SMILES notation for 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium?
The canonical SMILES for 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium is Fc1c[c-]n(-c2ccccn2)n1.[Ir].
What is the InChIKey of 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium?
The InChIKey is XFVUUJSUGBVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN3.Ir/c9-7-4-6-12(11-7)8-3-1-2-5-10-8;/h1-5H;/q-1;.
What are the key properties of 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium?
2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium has a molecular weight of 354.36 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5H-pyrazol-5-id-1-yl)pyridine;iridium is sourced from PubChem (CID 58814017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).