3-iodo-6-methylpyridazine

C5H5IN2 — CID 12680258

IUPAC3-iodo-6-methylpyridazine
SMILESCc1ccc(I)nn1
InChIInChI=1S/C5H5IN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKeyYJLFNBXIOWKHID-UHFFFAOYSA-N
MW220.01 g/mol
LogP1.39
Rot. Bonds

About 3-iodo-6-methylpyridazine

3-iodo-6-methylpyridazine (PubChem CID 12680258) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 3-iodo-6-methylpyridazine.

Molecular Properties

Compound Name3-iodo-6-methylpyridazine
PubChem CID12680258
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name3-iodo-6-methylpyridazine
SMILESCc1ccc(I)nn1
InChIInChI=1S/C5H5IN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKeyYJLFNBXIOWKHID-UHFFFAOYSA-N
XLogP1.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methylpyridazine?
The IUPAC name of 3-iodo-6-methylpyridazine (CID 12680258) is 3-iodo-6-methylpyridazine.
What is the SMILES notation for 3-iodo-6-methylpyridazine?
The canonical SMILES for 3-iodo-6-methylpyridazine is Cc1ccc(I)nn1.
What is the InChIKey of 3-iodo-6-methylpyridazine?
The InChIKey is YJLFNBXIOWKHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3.
What are the key properties of 3-iodo-6-methylpyridazine?
3-iodo-6-methylpyridazine has a molecular weight of 220.01 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methylpyridazine is sourced from PubChem (CID 12680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).