5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine

C11H14BrClN2 — CID 130572216

IUPAC5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cc(CCl)c(Br)cn2)C1
InChIInChI=1S/C11H14BrClN2/c1-8-2-3-15(7-8)11-4-9(5-13)10(12)6-14-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJUIRJIMYGBPKPX-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.43
Rot. Bonds2

About 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine

5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine (PubChem CID 130572216) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine
PubChem CID130572216
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cc(CCl)c(Br)cn2)C1
InChIInChI=1S/C11H14BrClN2/c1-8-2-3-15(7-8)11-4-9(5-13)10(12)6-14-11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJUIRJIMYGBPKPX-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)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

4-ethyl-6-(3-methylpyrrolidin-1-yl)pyridin-3-amine
CID 123328717
1-[5-chloro-4-(chloromethyl)-2-pyridinyl]-4-methylazepane
CID 114921058
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
3-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridazine
CID 61257627
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
CID 81237792
2-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridine
CID 62255365
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
5-(chloromethyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 83184569
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine
CID 114921014

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine (CID 130572216) is 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine is CC1CCN(c2cc(CCl)c(Br)cn2)C1.
What is the InChIKey of 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine?
The InChIKey is JUIRJIMYGBPKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-8-2-3-15(7-8)11-4-9(5-13)10(12)6-14-11/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine?
5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine has a molecular weight of 289.60 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 130572216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).