1-ethyl-2H-pyridine-3-diazonium bromide

C7H10BrN3 — CID 18679041

IUPAC1-ethyl-2H-pyridine-3-diazonium bromide
SMILESCCN1C=CC=C([N+]#N)C1.[Br-]
InChIInChI=1S/C7H10N3.BrH/c1-2-10-5-3-4-7(6-10)9-8;/h3-5H,2,6H2,1H3;1H/q+1;/p-1
InChIKeyGRGSIYYBNCUQSR-UHFFFAOYSA-M
MW216.08 g/mol
LogP-1.42
Rot. Bonds1

About 1-ethyl-2H-pyridine-3-diazonium bromide

1-ethyl-2H-pyridine-3-diazonium bromide (PubChem CID 18679041) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine-3-diazonium bromide.

Molecular Properties

Compound Name1-ethyl-2H-pyridine-3-diazonium bromide
PubChem CID18679041
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name1-ethyl-2H-pyridine-3-diazonium bromide
SMILESCCN1C=CC=C([N+]#N)C1.[Br-]
InChIInChI=1S/C7H10N3.BrH/c1-2-10-5-3-4-7(6-10)9-8;/h3-5H,2,6H2,1H3;1H/q+1;/p-1
InChIKeyGRGSIYYBNCUQSR-UHFFFAOYSA-M
XLogP-1.42
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-2H-pyridine-3-diazonium bromide?
The IUPAC name of 1-ethyl-2H-pyridine-3-diazonium bromide (CID 18679041) is 1-ethyl-2H-pyridine-3-diazonium bromide.
What is the SMILES notation for 1-ethyl-2H-pyridine-3-diazonium bromide?
The canonical SMILES for 1-ethyl-2H-pyridine-3-diazonium bromide is CCN1C=CC=C([N+]#N)C1.[Br-].
What is the InChIKey of 1-ethyl-2H-pyridine-3-diazonium bromide?
The InChIKey is GRGSIYYBNCUQSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N3.BrH/c1-2-10-5-3-4-7(6-10)9-8;/h3-5H,2,6H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-2H-pyridine-3-diazonium bromide?
1-ethyl-2H-pyridine-3-diazonium bromide has a molecular weight of 216.08 g/mol, XLogP of -1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyridine-3-diazonium bromide is sourced from PubChem (CID 18679041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).