4-(bromomethyl)-1-methyl-2H-pyridine

C7H10BrN — CID 156632675

IUPAC4-(bromomethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC(CBr)=CC1
InChIInChI=1S/C7H10BrN/c1-9-4-2-7(6-8)3-5-9/h2-4H,5-6H2,1H3
InChIKeyOXOOCWYKAAFELC-UHFFFAOYSA-N
MW188.07 g/mol
LogP1.77
Rot. Bonds1

About 4-(bromomethyl)-1-methyl-2H-pyridine

4-(bromomethyl)-1-methyl-2H-pyridine (PubChem CID 156632675) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-1-methyl-2H-pyridine
PubChem CID156632675
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name4-(bromomethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC(CBr)=CC1
InChIInChI=1S/C7H10BrN/c1-9-4-2-7(6-8)3-5-9/h2-4H,5-6H2,1H3
InChIKeyOXOOCWYKAAFELC-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-1-methyl-2H-pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methyl-2H-pyridine?
The IUPAC name of 4-(bromomethyl)-1-methyl-2H-pyridine (CID 156632675) is 4-(bromomethyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 4-(bromomethyl)-1-methyl-2H-pyridine?
The canonical SMILES for 4-(bromomethyl)-1-methyl-2H-pyridine is CN1C=CC(CBr)=CC1.
What is the InChIKey of 4-(bromomethyl)-1-methyl-2H-pyridine?
The InChIKey is OXOOCWYKAAFELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-9-4-2-7(6-8)3-5-9/h2-4H,5-6H2,1H3.
What are the key properties of 4-(bromomethyl)-1-methyl-2H-pyridine?
4-(bromomethyl)-1-methyl-2H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 156632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).