3-chloro-6-(iodomethyl)pyridazine

C5H4ClIN2 — CID 88576373

IUPAC3-chloro-6-(iodomethyl)pyridazine
SMILESClc1ccc(CI)nn1
InChIInChI=1S/C5H4ClIN2/c6-5-2-1-4(3-7)8-9-5/h1-2H,3H2
InChIKeySJCNKRGPTBJHKE-UHFFFAOYSA-N
MW254.46 g/mol
LogP2.07
Rot. Bonds1

About 3-chloro-6-(iodomethyl)pyridazine

3-chloro-6-(iodomethyl)pyridazine (PubChem CID 88576373) has the molecular formula C5H4ClIN2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-chloro-6-(iodomethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(iodomethyl)pyridazine
PubChem CID88576373
Molecular FormulaC5H4ClIN2
Molecular Weight254.46 g/mol
Exact Mass253.91
IUPAC Name3-chloro-6-(iodomethyl)pyridazine
SMILESClc1ccc(CI)nn1
InChIInChI=1S/C5H4ClIN2/c6-5-2-1-4(3-7)8-9-5/h1-2H,3H2
InChIKeySJCNKRGPTBJHKE-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(iodomethyl)pyridazine?
The IUPAC name of 3-chloro-6-(iodomethyl)pyridazine (CID 88576373) is 3-chloro-6-(iodomethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(iodomethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(iodomethyl)pyridazine is Clc1ccc(CI)nn1.
What is the InChIKey of 3-chloro-6-(iodomethyl)pyridazine?
The InChIKey is SJCNKRGPTBJHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2/c6-5-2-1-4(3-7)8-9-5/h1-2H,3H2.
What are the key properties of 3-chloro-6-(iodomethyl)pyridazine?
3-chloro-6-(iodomethyl)pyridazine has a molecular weight of 254.46 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(iodomethyl)pyridazine is sourced from PubChem (CID 88576373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).