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

C10H14BrN — CID 115375378

IUPAC3-(3-bromo-2-methylpropyl)-5-methylpyridine
SMILESCc1cncc(CC(C)CBr)c1
InChIInChI=1S/C10H14BrN/c1-8(5-11)3-10-4-9(2)6-12-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeyZJIGIZJOYLGXJB-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.96
Rot. Bonds3

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

3-(3-bromo-2-methylpropyl)-5-methylpyridine (PubChem CID 115375378) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 3-(3-bromo-2-methylpropyl)-5-methylpyridine.

Molecular Properties

Compound Name3-(3-bromo-2-methylpropyl)-5-methylpyridine
PubChem CID115375378
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name3-(3-bromo-2-methylpropyl)-5-methylpyridine
SMILESCc1cncc(CC(C)CBr)c1
InChIInChI=1S/C10H14BrN/c1-8(5-11)3-10-4-9(2)6-12-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeyZJIGIZJOYLGXJB-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.96
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

(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
1-(3-bromo-2-methylpropyl)-3-fluoro-5-methylbenzene
CID 79704131
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
CID 102878483
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
bromic acid;3-(bromomethyl)-5-methylpyridine
CID 159195329
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
CID 113297407
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115375282

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylpropyl)-5-methylpyridine?
The IUPAC name of 3-(3-bromo-2-methylpropyl)-5-methylpyridine (CID 115375378) is 3-(3-bromo-2-methylpropyl)-5-methylpyridine.
What is the SMILES notation for 3-(3-bromo-2-methylpropyl)-5-methylpyridine?
The canonical SMILES for 3-(3-bromo-2-methylpropyl)-5-methylpyridine is Cc1cncc(CC(C)CBr)c1.
What is the InChIKey of 3-(3-bromo-2-methylpropyl)-5-methylpyridine?
The InChIKey is ZJIGIZJOYLGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(5-11)3-10-4-9(2)6-12-7-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 3-(3-bromo-2-methylpropyl)-5-methylpyridine?
3-(3-bromo-2-methylpropyl)-5-methylpyridine has a molecular weight of 228.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylpropyl)-5-methylpyridine is sourced from PubChem (CID 115375378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).