[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide

C7H8BrN5O — CID 134820616

IUPAC[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide
SMILESNN[n+]1ccccc1-c1conn1.[Br-]
InChIInChI=1S/C7H8N5O.BrH/c8-10-12-4-2-1-3-7(12)6-5-13-11-9-6;/h1-5,10H,8H2;1H/q+1;/p-1
InChIKeyWRZSKMCJWVUTGQ-UHFFFAOYSA-M
MW258.08 g/mol
LogP-3.55
Rot. Bonds2

About [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide

[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide (PubChem CID 134820616) has the molecular formula C7H8BrN5O and a molecular weight of 258.08 g/mol. Its IUPAC name is [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide.

Molecular Properties

Compound Name[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide
PubChem CID134820616
Molecular FormulaC7H8BrN5O
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC Name[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide
SMILESNN[n+]1ccccc1-c1conn1.[Br-]
InChIInChI=1S/C7H8N5O.BrH/c8-10-12-4-2-1-3-7(12)6-5-13-11-9-6;/h1-5,10H,8H2;1H/q+1;/p-1
InChIKeyWRZSKMCJWVUTGQ-UHFFFAOYSA-M
XLogP-3.55
TPSA80.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 5-3.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide?
The IUPAC name of [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide (CID 134820616) is [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide.
What is the SMILES notation for [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide?
The canonical SMILES for [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide is NN[n+]1ccccc1-c1conn1.[Br-].
What is the InChIKey of [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide?
The InChIKey is WRZSKMCJWVUTGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N5O.BrH/c8-10-12-4-2-1-3-7(12)6-5-13-11-9-6;/h1-5,10H,8H2;1H/q+1;/p-1.
What are the key properties of [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide?
[2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide has a molecular weight of 258.08 g/mol, XLogP of -3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxadiazol-4-yl)pyridin-1-ium-1-yl]hydrazine bromide is sourced from PubChem (CID 134820616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).