2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine

C11H15BrN2 — CID 126985647

IUPAC2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCCN1Cc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2/c1-9-4-3-7-14(9)8-10-5-2-6-11(12)13-10/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyZYSIYUQKXROWKC-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine

2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 126985647) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
PubChem CID126985647
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCCN1Cc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2/c1-9-4-3-7-14(9)8-10-5-2-6-11(12)13-10/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyZYSIYUQKXROWKC-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]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 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine (CID 126985647) is 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine is CC1CCCN1Cc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is ZYSIYUQKXROWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-4-3-7-14(9)8-10-5-2-6-11(12)13-10/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 126985647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).