3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine

C10H12Br2N2 — CID 80679963

IUPAC3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
SMILESBrCC1CCN(c2ncccc2Br)C1
InChIInChI=1S/C10H12Br2N2/c11-6-8-3-5-14(7-8)10-9(12)2-1-4-13-10/h1-2,4,8H,3,5-7H2
InChIKeyAUMGZRVXHLZZAC-UHFFFAOYSA-N
MW320.03 g/mol
LogP3.07
Rot. Bonds2

About 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine

3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine (PubChem CID 80679963) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
PubChem CID80679963
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC Name3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
SMILESBrCC1CCN(c2ncccc2Br)C1
InChIInChI=1S/C10H12Br2N2/c11-6-8-3-5-14(7-8)10-9(12)2-1-4-13-10/h1-2,4,8H,3,5-7H2
InChIKeyAUMGZRVXHLZZAC-UHFFFAOYSA-N
XLogP3.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine (CID 80679963) is 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine is BrCC1CCN(c2ncccc2Br)C1.
What is the InChIKey of 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is AUMGZRVXHLZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c11-6-8-3-5-14(7-8)10-9(12)2-1-4-13-10/h1-2,4,8H,3,5-7H2.
What are the key properties of 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine?
3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 320.03 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 80679963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).