2-iodo-5-nitrotetrazole

CIN5O2 — CID 69031764

IUPAC2-iodo-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnn(I)n1
InChIInChI=1S/CIN5O2/c2-7-4-1(3-5-7)6(8)9
InChIKeySTTXJVNOTRHJJD-UHFFFAOYSA-N
MW240.95 g/mol
LogP-0.22
Rot. Bonds1

About 2-iodo-5-nitrotetrazole

2-iodo-5-nitrotetrazole (PubChem CID 69031764) has the molecular formula CIN5O2 and a molecular weight of 240.95 g/mol. Its IUPAC name is 2-iodo-5-nitrotetrazole.

Molecular Properties

Compound Name2-iodo-5-nitrotetrazole
PubChem CID69031764
Molecular FormulaCIN5O2
Molecular Weight240.95 g/mol
Exact Mass240.91
IUPAC Name2-iodo-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnn(I)n1
InChIInChI=1S/CIN5O2/c2-7-4-1(3-5-7)6(8)9
InChIKeySTTXJVNOTRHJJD-UHFFFAOYSA-N
XLogP-0.22
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.95
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitrotetrazole?
The IUPAC name of 2-iodo-5-nitrotetrazole (CID 69031764) is 2-iodo-5-nitrotetrazole.
What is the SMILES notation for 2-iodo-5-nitrotetrazole?
The canonical SMILES for 2-iodo-5-nitrotetrazole is O=[N+]([O-])c1nnn(I)n1.
What is the InChIKey of 2-iodo-5-nitrotetrazole?
The InChIKey is STTXJVNOTRHJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/CIN5O2/c2-7-4-1(3-5-7)6(8)9.
What are the key properties of 2-iodo-5-nitrotetrazole?
2-iodo-5-nitrotetrazole has a molecular weight of 240.95 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitrotetrazole is sourced from PubChem (CID 69031764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).