(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine

C9H11BrFN3 — CID 130677279

IUPAC(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cnc(Br)c(F)c2)C1
InChIInChI=1S/C9H11BrFN3/c10-9-8(11)3-7(4-13-9)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1
InChIKeyCKUMWAUMMWVJFK-LURJTMIESA-N
MW260.11 g/mol
LogP1.52
Rot. Bonds1

About (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine

(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine (PubChem CID 130677279) has the molecular formula C9H11BrFN3 and a molecular weight of 260.11 g/mol. Its IUPAC name is (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
PubChem CID130677279
Molecular FormulaC9H11BrFN3
Molecular Weight260.11 g/mol
Exact Mass259.01
IUPAC Name(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cnc(Br)c(F)c2)C1
InChIInChI=1S/C9H11BrFN3/c10-9-8(11)3-7(4-13-9)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1
InChIKeyCKUMWAUMMWVJFK-LURJTMIESA-N
XLogP1.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine 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 (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine (CID 130677279) is (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine is N[C@H]1CCN(c2cnc(Br)c(F)c2)C1.
What is the InChIKey of (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The InChIKey is CKUMWAUMMWVJFK-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrFN3/c10-9-8(11)3-7(4-13-9)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2/t6-/m0/s1.
What are the key properties of (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine?
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine has a molecular weight of 260.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 130677279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).