4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine

C9H10BrCl2NO — CID 572274

IUPAC4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(OCCBr)c1Cl
InChIInChI=1S/C9H10BrCl2NO/c1-5-7(11)9(14-4-3-10)8(12)6(2)13-5/h3-4H2,1-2H3
InChIKeyQXGXBQSJXZMLKW-UHFFFAOYSA-N
MW299.00 g/mol
LogP3.78
Rot. Bonds3

About 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine

4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine (PubChem CID 572274) has the molecular formula C9H10BrCl2NO and a molecular weight of 299.00 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine
PubChem CID572274
Molecular FormulaC9H10BrCl2NO
Molecular Weight299.00 g/mol
Exact Mass296.93
IUPAC Name4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(OCCBr)c1Cl
InChIInChI=1S/C9H10BrCl2NO/c1-5-7(11)9(14-4-3-10)8(12)6(2)13-5/h3-4H2,1-2H3
InChIKeyQXGXBQSJXZMLKW-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.00
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine?
The IUPAC name of 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine (CID 572274) is 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine.
What is the SMILES notation for 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine?
The canonical SMILES for 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine is Cc1nc(C)c(Cl)c(OCCBr)c1Cl.
What is the InChIKey of 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine?
The InChIKey is QXGXBQSJXZMLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO/c1-5-7(11)9(14-4-3-10)8(12)6(2)13-5/h3-4H2,1-2H3.
What are the key properties of 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine?
4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine has a molecular weight of 299.00 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine is sourced from PubChem (CID 572274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).