2-(2-bromohexyl)-5-methylpyridine

C12H18BrN — CID 66453150

IUPAC2-(2-bromohexyl)-5-methylpyridine
SMILESCCCCC(Br)Cc1ccc(C)cn1
InChIInChI=1S/C12H18BrN/c1-3-4-5-11(13)8-12-7-6-10(2)9-14-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyZOHKVAIBJAPJMY-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-bromohexyl)-5-methylpyridine

2-(2-bromohexyl)-5-methylpyridine (PubChem CID 66453150) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(2-bromohexyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-bromohexyl)-5-methylpyridine
PubChem CID66453150
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(2-bromohexyl)-5-methylpyridine
SMILESCCCCC(Br)Cc1ccc(C)cn1
InChIInChI=1S/C12H18BrN/c1-3-4-5-11(13)8-12-7-6-10(2)9-14-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyZOHKVAIBJAPJMY-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(2-bromohexyl)-5-methylpyridine?
The IUPAC name of 2-(2-bromohexyl)-5-methylpyridine (CID 66453150) is 2-(2-bromohexyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-bromohexyl)-5-methylpyridine?
The canonical SMILES for 2-(2-bromohexyl)-5-methylpyridine is CCCCC(Br)Cc1ccc(C)cn1.
What is the InChIKey of 2-(2-bromohexyl)-5-methylpyridine?
The InChIKey is ZOHKVAIBJAPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-4-5-11(13)8-12-7-6-10(2)9-14-12/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 2-(2-bromohexyl)-5-methylpyridine?
2-(2-bromohexyl)-5-methylpyridine has a molecular weight of 256.19 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromohexyl)-5-methylpyridine is sourced from PubChem (CID 66453150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).