3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine

C9H6IN3O2 — CID 68596388

IUPAC3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])C=Cc1ccn2c(I)cnc2c1
InChIInChI=1S/C9H6IN3O2/c10-8-6-11-9-5-7(1-3-12(8)9)2-4-13(14)15/h1-6H
InChIKeyKECKFCUQYUMXMD-UHFFFAOYSA-N
MW315.07 g/mol
LogP2.19
Rot. Bonds2

About 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine

3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine (PubChem CID 68596388) has the molecular formula C9H6IN3O2 and a molecular weight of 315.07 g/mol. Its IUPAC name is 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine
PubChem CID68596388
Molecular FormulaC9H6IN3O2
Molecular Weight315.07 g/mol
Exact Mass314.95
IUPAC Name3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])C=Cc1ccn2c(I)cnc2c1
InChIInChI=1S/C9H6IN3O2/c10-8-6-11-9-5-7(1-3-12(8)9)2-4-13(14)15/h1-6H
InChIKeyKECKFCUQYUMXMD-UHFFFAOYSA-N
XLogP2.19
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine (CID 68596388) is 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])C=Cc1ccn2c(I)cnc2c1.
What is the InChIKey of 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine?
The InChIKey is KECKFCUQYUMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O2/c10-8-6-11-9-5-7(1-3-12(8)9)2-4-13(14)15/h1-6H.
What are the key properties of 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine?
3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine has a molecular weight of 315.07 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68596388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).