1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium

C9H4F3N4O2+ — CID 91579349

IUPAC1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium
SMILESN#[N+]c1cn(OC(=O)C(F)(F)F)c2ccncc12
InChIInChI=1S/C9H4F3N4O2/c10-9(11,12)8(17)18-16-4-6(15-13)5-3-14-2-1-7(5)16/h1-4H/q+1
InChIKeyGHFIYQMNHKSPIM-UHFFFAOYSA-N
MW257.15 g/mol
LogP2.04
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium

1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium (PubChem CID 91579349) has the molecular formula C9H4F3N4O2+ and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium
PubChem CID91579349
Molecular FormulaC9H4F3N4O2+
Molecular Weight257.15 g/mol
Exact Mass257.03
IUPAC Name1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium
SMILESN#[N+]c1cn(OC(=O)C(F)(F)F)c2ccncc12
InChIInChI=1S/C9H4F3N4O2/c10-9(11,12)8(17)18-16-4-6(15-13)5-3-14-2-1-7(5)16/h1-4H/q+1
InChIKeyGHFIYQMNHKSPIM-UHFFFAOYSA-N
XLogP2.04
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium (CID 91579349) is 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium is N#[N+]c1cn(OC(=O)C(F)(F)F)c2ccncc12.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium?
The InChIKey is GHFIYQMNHKSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N4O2/c10-9(11,12)8(17)18-16-4-6(15-13)5-3-14-2-1-7(5)16/h1-4H/q+1.
What are the key properties of 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium?
1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium has a molecular weight of 257.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)oxypyrrolo[3,2-c]pyridine-3-diazonium is sourced from PubChem (CID 91579349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).