3-tert-butyl-6-iodopyridazine

C8H11IN2 — CID 146377266

IUPAC3-tert-butyl-6-iodopyridazine
SMILESCC(C)(C)c1ccc(I)nn1
InChIInChI=1S/C8H11IN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3
InChIKeyRBWWPBBFMKVKRJ-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.38
Rot. Bonds

About 3-tert-butyl-6-iodopyridazine

3-tert-butyl-6-iodopyridazine (PubChem CID 146377266) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 3-tert-butyl-6-iodopyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-iodopyridazine
PubChem CID146377266
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name3-tert-butyl-6-iodopyridazine
SMILESCC(C)(C)c1ccc(I)nn1
InChIInChI=1S/C8H11IN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3
InChIKeyRBWWPBBFMKVKRJ-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dimethylpyridazine
CID 527031
3-Iodo-6-methylpyridazine
CID 12680258
US10221162, Example 765.0
CID 122702377
3-tert-Butyl-6-chloropyridazine
CID 13499979
6-tert-Butylpyridazin-3-amine
CID 13755288
3-Iodo-6-(trifluoromethyl)pyridazine
CID 52987965
Pyridazine, 3-ethyl-6-methyl-
CID 12440085
Pyridazine, 3,4,6-trimethyl-
CID 12440100
Pyridazine, 3-methyl-6-n-propyl-
CID 85774315
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
3-Methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
CID 86178150

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-iodopyridazine?
The IUPAC name of 3-tert-butyl-6-iodopyridazine (CID 146377266) is 3-tert-butyl-6-iodopyridazine.
What is the SMILES notation for 3-tert-butyl-6-iodopyridazine?
The canonical SMILES for 3-tert-butyl-6-iodopyridazine is CC(C)(C)c1ccc(I)nn1.
What is the InChIKey of 3-tert-butyl-6-iodopyridazine?
The InChIKey is RBWWPBBFMKVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-6-iodopyridazine?
3-tert-butyl-6-iodopyridazine has a molecular weight of 262.09 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-iodopyridazine is sourced from PubChem (CID 146377266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).