2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine

C10H13BrN2 — CID 63961516

IUPAC2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cccc(Br)n2)C1
InChIInChI=1S/C10H13BrN2/c1-8-5-6-13(7-8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3
InChIKeyBSCIZXWBAWPIFQ-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine

2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine (PubChem CID 63961516) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
PubChem CID63961516
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2cccc(Br)n2)C1
InChIInChI=1S/C10H13BrN2/c1-8-5-6-13(7-8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3
InChIKeyBSCIZXWBAWPIFQ-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine (CID 63961516) is 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine is CC1CCN(c2cccc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine?
The InChIKey is BSCIZXWBAWPIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-8-5-6-13(7-8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine?
2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine has a molecular weight of 241.13 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 63961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).