3,6-diiodo-2,4-dimethylpyridine

C7H7I2N — CID 155467914

IUPAC3,6-diiodo-2,4-dimethylpyridine
SMILESCc1cc(I)nc(C)c1I
InChIInChI=1S/C7H7I2N/c1-4-3-6(8)10-5(2)7(4)9/h3H,1-2H3
InChIKeyVXYJSUSSRCFAAF-UHFFFAOYSA-N
MW358.95 g/mol
LogP2.91
Rot. Bonds

About 3,6-diiodo-2,4-dimethylpyridine

3,6-diiodo-2,4-dimethylpyridine (PubChem CID 155467914) has the molecular formula C7H7I2N and a molecular weight of 358.95 g/mol. Its IUPAC name is 3,6-diiodo-2,4-dimethylpyridine.

Molecular Properties

Compound Name3,6-diiodo-2,4-dimethylpyridine
PubChem CID155467914
Molecular FormulaC7H7I2N
Molecular Weight358.95 g/mol
Exact Mass358.87
IUPAC Name3,6-diiodo-2,4-dimethylpyridine
SMILESCc1cc(I)nc(C)c1I
InChIInChI=1S/C7H7I2N/c1-4-3-6(8)10-5(2)7(4)9/h3H,1-2H3
InChIKeyVXYJSUSSRCFAAF-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-Lutidine
CID 7937
2,4-Dimethylpyridine
CID 7936
2,4,6-Trimethylpyridine
CID 7953
Mpep
CID 3025961
Sib 1893
CID 5311432
2,3,6-Trimethylpyridine
CID 15100
2,6-Di-tert-butyl-4-methylpyridine
CID 98898
2-Methyl-6-(phenylethynyl)pyridine hydrochloride
CID 9794588
2,4,6-Tri-tert-butylpyridine
CID 140675
16-Azabicyclo10.3.1hexadeca-1(16),12,14-triene, 3-methyl-
CID 5319970
5,6,7,8-Tetrahydro-2,4-dimethylquinoline
CID 5321849
Pyridine, 2,4,6-trimethyl-, 1-oxide
CID 76904

Frequently Asked Questions

What is the IUPAC name of 3,6-diiodo-2,4-dimethylpyridine?
The IUPAC name of 3,6-diiodo-2,4-dimethylpyridine (CID 155467914) is 3,6-diiodo-2,4-dimethylpyridine.
What is the SMILES notation for 3,6-diiodo-2,4-dimethylpyridine?
The canonical SMILES for 3,6-diiodo-2,4-dimethylpyridine is Cc1cc(I)nc(C)c1I.
What is the InChIKey of 3,6-diiodo-2,4-dimethylpyridine?
The InChIKey is VXYJSUSSRCFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2N/c1-4-3-6(8)10-5(2)7(4)9/h3H,1-2H3.
What are the key properties of 3,6-diiodo-2,4-dimethylpyridine?
3,6-diiodo-2,4-dimethylpyridine has a molecular weight of 358.95 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodo-2,4-dimethylpyridine is sourced from PubChem (CID 155467914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).