4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide

C8H13BrIN — CID 175827833

IUPAC4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide
SMILESCN1C=CC(CCBr)=CC1.I
InChIInChI=1S/C8H12BrN.HI/c1-10-6-3-8(2-5-9)4-7-10;/h3-4,6H,2,5,7H2,1H3;1H
InChIKeyAMFOEYIJAMPMGE-UHFFFAOYSA-N
MW330.01 g/mol
LogP2.77
Rot. Bonds2

About 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide

4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide (PubChem CID 175827833) has the molecular formula C8H13BrIN and a molecular weight of 330.01 g/mol. Its IUPAC name is 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide.

Molecular Properties

Compound Name4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide
PubChem CID175827833
Molecular FormulaC8H13BrIN
Molecular Weight330.01 g/mol
Exact Mass328.93
IUPAC Name4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide
SMILESCN1C=CC(CCBr)=CC1.I
InChIInChI=1S/C8H12BrN.HI/c1-10-6-3-8(2-5-9)4-7-10;/h3-4,6H,2,5,7H2,1H3;1H
InChIKeyAMFOEYIJAMPMGE-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.01
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide 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

4-ethyl-1-methyl-2H-pyridine
CID 23542352
1,5-bis(bromomethyl)-2H-pyridine
CID 24745023
5-(Bromomethyl)-1-methyl-2-methylidenepyridine
CID 123372442
4-Bromo-7-(bromomethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 142548878
4-buta-1,3-dien-2-yl-1-methyl-2H-pyridine
CID 144746027
3-bromo-4-ethyl-1-methyl-2H-pyridine
CID 146392401
1-bromo-2,7-dimethyl-6,7-dihydro-1H-isoquinoline
CID 146429959
4-(bromomethyl)-1-methyl-2H-pyridine
CID 156632675
2-bromo-4-ethenyl-1-ethyl-2H-pyridine
CID 161661290
1-bromo-2-methyl-3H-isoquinoline
CID 174848176
4-(2-bromoethyl)-1-methyl-2H-pyridine
CID 175569710
1-methyl-4-propan-2-yl-2H-pyridine iodide
CID 57357639

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide?
The IUPAC name of 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide (CID 175827833) is 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide.
What is the SMILES notation for 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide?
The canonical SMILES for 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide is CN1C=CC(CCBr)=CC1.I.
What is the InChIKey of 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide?
The InChIKey is AMFOEYIJAMPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN.HI/c1-10-6-3-8(2-5-9)4-7-10;/h3-4,6H,2,5,7H2,1H3;1H.
What are the key properties of 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide?
4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide has a molecular weight of 330.01 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-1-methyl-2H-pyridine;hydroiodide is sourced from PubChem (CID 175827833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).