2-(2-bromo-5-methylhexyl)-3-methylpyridine

C13H20BrN — CID 66455289

IUPAC2-(2-bromo-5-methylhexyl)-3-methylpyridine
SMILESCc1cccnc1CC(Br)CCC(C)C
InChIInChI=1S/C13H20BrN/c1-10(2)6-7-12(14)9-13-11(3)5-4-8-15-13/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyZMTCSXOGJXSUDB-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-bromo-5-methylhexyl)-3-methylpyridine

2-(2-bromo-5-methylhexyl)-3-methylpyridine (PubChem CID 66455289) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(2-bromo-5-methylhexyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-bromo-5-methylhexyl)-3-methylpyridine
PubChem CID66455289
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(2-bromo-5-methylhexyl)-3-methylpyridine
SMILESCc1cccnc1CC(Br)CCC(C)C
InChIInChI=1S/C13H20BrN/c1-10(2)6-7-12(14)9-13-11(3)5-4-8-15-13/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyZMTCSXOGJXSUDB-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'}

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Related Compounds

N,5-dimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 66446876
2-(2-bromo-4-phenylbutyl)-3-methylpyridine
CID 66453126
2-(2-bromotridecyl)-3-methylpyridine
CID 66452472
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124
3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine
CID 50957417
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
N,5,5-trimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 114212784
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
CID 107186225
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylhexyl)-3-methylpyridine?
The IUPAC name of 2-(2-bromo-5-methylhexyl)-3-methylpyridine (CID 66455289) is 2-(2-bromo-5-methylhexyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-bromo-5-methylhexyl)-3-methylpyridine?
The canonical SMILES for 2-(2-bromo-5-methylhexyl)-3-methylpyridine is Cc1cccnc1CC(Br)CCC(C)C.
What is the InChIKey of 2-(2-bromo-5-methylhexyl)-3-methylpyridine?
The InChIKey is ZMTCSXOGJXSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-10(2)6-7-12(14)9-13-11(3)5-4-8-15-13/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methylhexyl)-3-methylpyridine?
2-(2-bromo-5-methylhexyl)-3-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-5-methylhexyl)-3-methylpyridine is sourced from PubChem (CID 66455289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).