2,6-dibromo-4-(hexoxymethyl)pyridine

C12H17Br2NO — CID 11002629

IUPAC2,6-dibromo-4-(hexoxymethyl)pyridine
SMILESCCCCCCOCc1cc(Br)nc(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyRGGRVDLDUOFTDR-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.70
Rot. Bonds7

About 2,6-dibromo-4-(hexoxymethyl)pyridine

2,6-dibromo-4-(hexoxymethyl)pyridine (PubChem CID 11002629) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2,6-dibromo-4-(hexoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-4-(hexoxymethyl)pyridine
PubChem CID11002629
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2,6-dibromo-4-(hexoxymethyl)pyridine
SMILESCCCCCCOCc1cc(Br)nc(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyRGGRVDLDUOFTDR-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(hexoxymethyl)pyridine?
The IUPAC name of 2,6-dibromo-4-(hexoxymethyl)pyridine (CID 11002629) is 2,6-dibromo-4-(hexoxymethyl)pyridine.
What is the SMILES notation for 2,6-dibromo-4-(hexoxymethyl)pyridine?
The canonical SMILES for 2,6-dibromo-4-(hexoxymethyl)pyridine is CCCCCCOCc1cc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(hexoxymethyl)pyridine?
The InChIKey is RGGRVDLDUOFTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 2,6-dibromo-4-(hexoxymethyl)pyridine?
2,6-dibromo-4-(hexoxymethyl)pyridine has a molecular weight of 351.08 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(hexoxymethyl)pyridine is sourced from PubChem (CID 11002629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).