3,5-dibromo-4-methylpyridine;3,5-diiodopyridine

C11H8Br2I2N2 — CID 160633625

IUPAC3,5-dibromo-4-methylpyridine;3,5-diiodopyridine
SMILESCc1c(Br)cncc1Br.Ic1cncc(I)c1
InChIInChI=1S/C6H5Br2N.C5H3I2N/c1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4/h2-3H,1H3;1-3H
InChIKeyRIFZAVCAHQEALG-UHFFFAOYSA-N
MW581.82 g/mol
LogP5.21
Rot. Bonds

About 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine

3,5-dibromo-4-methylpyridine;3,5-diiodopyridine (PubChem CID 160633625) has the molecular formula C11H8Br2I2N2 and a molecular weight of 581.82 g/mol. Its IUPAC name is 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine.

Molecular Properties

Compound Name3,5-dibromo-4-methylpyridine;3,5-diiodopyridine
PubChem CID160633625
Molecular FormulaC11H8Br2I2N2
Molecular Weight581.82 g/mol
Exact Mass579.71
IUPAC Name3,5-dibromo-4-methylpyridine;3,5-diiodopyridine
SMILESCc1c(Br)cncc1Br.Ic1cncc(I)c1
InChIInChI=1S/C6H5Br2N.C5H3I2N/c1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4/h2-3H,1H3;1-3H
InChIKeyRIFZAVCAHQEALG-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.82
LogP ≤ 55.21
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 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine?
The IUPAC name of 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine (CID 160633625) is 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine.
What is the SMILES notation for 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine?
The canonical SMILES for 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine is Cc1c(Br)cncc1Br.Ic1cncc(I)c1.
What is the InChIKey of 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine?
The InChIKey is RIFZAVCAHQEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N.C5H3I2N/c1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4/h2-3H,1H3;1-3H.
What are the key properties of 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine?
3,5-dibromo-4-methylpyridine;3,5-diiodopyridine has a molecular weight of 581.82 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-methylpyridine;3,5-diiodopyridine is sourced from PubChem (CID 160633625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).