3-Iodo-6-(phenylethynyl)pyridazine

HCID 57516773

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Ic1ccc(C#Cc2ccccc2)nn1
InChIKey: HBKQGSVRBWYQAL-UHFFFAOYSA-N
Molecular formula: C12H7IN2
Average molar mass: 306.1 g/mol
Monoisotopic mass: 305.9654

Names & identifiers

Preferred name: 3-Iodo-6-(phenylethynyl)pyridazine
IUPAC: 3-iodo-6-(2-phenylethynyl)pyridazine

Names & synonyms

3-Iodo-6-(phenylethynyl)pyridazine1338493-54-13-iodo-6-(2-phenylethynyl)pyridazineSCHEMBL2521518HBKQGSVRBWYQAL-UHFFFAOYSA-N

Database identifiers

PubChem CID: 57516773

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 259

Related reactions

10 records

New reaction record

HRID 293059As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 629242As productuspto-grants-2016_04

HRID 629243As reactantuspto-grants-2016_04

HRID 673293As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1894253As productuspto-grants-2013_08

HRID 1894254As reactantuspto-grants-2013_08

HRID 1917568As productuspto-grants-2013_12

HRID 1917569As reactantuspto-grants-2013_12

Compound notes

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