2-(2-bromo-4-methylhexyl)-5-methylpyridine

C13H20BrN — CID 114877611

IUPAC2-(2-bromo-4-methylhexyl)-5-methylpyridine
SMILESCCC(C)CC(Br)Cc1ccc(C)cn1
InChIInChI=1S/C13H20BrN/c1-4-10(2)7-12(14)8-13-6-5-11(3)9-15-13/h5-6,9-10,12H,4,7-8H2,1-3H3
InChIKeyFPBUKRJMXGOUAO-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-bromo-4-methylhexyl)-5-methylpyridine

2-(2-bromo-4-methylhexyl)-5-methylpyridine (PubChem CID 114877611) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylhexyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methylhexyl)-5-methylpyridine
PubChem CID114877611
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(2-bromo-4-methylhexyl)-5-methylpyridine
SMILESCCC(C)CC(Br)Cc1ccc(C)cn1
InChIInChI=1S/C13H20BrN/c1-4-10(2)7-12(14)8-13-6-5-11(3)9-15-13/h5-6,9-10,12H,4,7-8H2,1-3H3
InChIKeyFPBUKRJMXGOUAO-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-methylhexyl)-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
2-(2-bromohexyl)-5-methylpyridine
CID 66453150
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
5-methyl-2-(propan-2-yloxymethyl)pyridine
CID 164949259
N-ethyl-3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-amine
CID 66447905
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-(2-chloro-3-methylhexyl)-5-methylpyridine
CID 66461421
1,1-dicyclopropyl-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 112745195
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
CID 66454874
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylhexyl)-5-methylpyridine?
The IUPAC name of 2-(2-bromo-4-methylhexyl)-5-methylpyridine (CID 114877611) is 2-(2-bromo-4-methylhexyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-bromo-4-methylhexyl)-5-methylpyridine?
The canonical SMILES for 2-(2-bromo-4-methylhexyl)-5-methylpyridine is CCC(C)CC(Br)Cc1ccc(C)cn1.
What is the InChIKey of 2-(2-bromo-4-methylhexyl)-5-methylpyridine?
The InChIKey is FPBUKRJMXGOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-10(2)7-12(14)8-13-6-5-11(3)9-15-13/h5-6,9-10,12H,4,7-8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylhexyl)-5-methylpyridine?
2-(2-bromo-4-methylhexyl)-5-methylpyridine has a molecular weight of 270.21 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylhexyl)-5-methylpyridine is sourced from PubChem (CID 114877611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).