(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol

Name: (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁BrN₂O — CID 95731179

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol

SMILESO[C@H]1CCN(c2ccc(Br)nc2)C1

InChIInChI=1S/C9H11BrN2O/c10-9-2-1-7(5-11-9)12-4-3-8(13)6-12/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1

InChIKeyBMJSKZRPPSCOHK-QMMMGPOBSA-N

MW243.10 g/mol

LogP1.42

Rot. Bonds1

About (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol

(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol (PubChem CID 95731179) has the molecular formula C₉H₁₁BrN₂O and a molecular weight of 243.10 g/mol. Its IUPAC name is (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name	(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
PubChem CID	95731179
Molecular Formula	C₉H₁₁BrN₂O
Molecular Weight	243.10 g/mol
Exact Mass	242.01
IUPAC Name	(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
SMILES	O[C@H]1CCN(c2ccc(Br)nc2)C1
InChI	InChI=1S/C9H11BrN2O/c10-9-2-1-7(5-11-9)12-4-3-8(13)6-12/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1
InChIKey	BMJSKZRPPSCOHK-QMMMGPOBSA-N
XLogP	1.42
TPSA	36.36 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.10
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol?

The IUPAC name of (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol (CID 95731179) is (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol.

What is the SMILES notation for (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol?

The canonical SMILES for (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol is O[C@H]1CCN(c2ccc(Br)nc2)C1.

What is the InChIKey of (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol?

The InChIKey is BMJSKZRPPSCOHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-9-2-1-7(5-11-9)12-4-3-8(13)6-12/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1.

What are the key properties of (3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol?

(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol has a molecular weight of 243.10 g/mol, XLogP of 1.42, 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-3-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 95731179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 95731179 — identifiers, structure, computed properties (public domain)

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