2-bromo-2-methyl-1H-pyridine

C6H8BrN — CID 68644332

IUPAC2-bromo-2-methyl-1H-pyridine
SMILESCC1(Br)C=CC=CN1
InChIInChI=1S/C6H8BrN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3
InChIKeyFZMMYHLDBMXKGW-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.77
Rot. Bonds

About 2-bromo-2-methyl-1H-pyridine

2-bromo-2-methyl-1H-pyridine (PubChem CID 68644332) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 2-bromo-2-methyl-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-methyl-1H-pyridine
PubChem CID68644332
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name2-bromo-2-methyl-1H-pyridine
SMILESCC1(Br)C=CC=CN1
InChIInChI=1S/C6H8BrN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3
InChIKeyFZMMYHLDBMXKGW-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-2-methyl-1H-pyridine 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

2-Fluoropicoline
CID 69611625
Dihydropicoline
CID 5246423
2-Methyl picoline
CID 18347293
2-Chloropicoline
CID 19964169
2-Methyl-2-vinylpyridine
CID 20131521
2-Aminopicoline
CID 66824522
2-Bromo-4-methylpicoline
CID 86637772
2-bromopicoline N-oxide
CID 129800389
2-(bromomethyl)-2-fluoro-1H-pyridine
CID 66848478
2-bromo-2-(trifluoromethyl)-1H-pyridine
CID 66918749
2-bromo-3-fluoro-2-methyl-1H-pyridine
CID 68597580
3-Fluoro-2-methyl-1,2-dihydropyridine
CID 145491768

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-1H-pyridine?
The IUPAC name of 2-bromo-2-methyl-1H-pyridine (CID 68644332) is 2-bromo-2-methyl-1H-pyridine.
What is the SMILES notation for 2-bromo-2-methyl-1H-pyridine?
The canonical SMILES for 2-bromo-2-methyl-1H-pyridine is CC1(Br)C=CC=CN1.
What is the InChIKey of 2-bromo-2-methyl-1H-pyridine?
The InChIKey is FZMMYHLDBMXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3.
What are the key properties of 2-bromo-2-methyl-1H-pyridine?
2-bromo-2-methyl-1H-pyridine has a molecular weight of 174.04 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-1H-pyridine is sourced from PubChem (CID 68644332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).