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

C9H11BrN2O — CID 95731179

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 CID95731179
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(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
XLogP1.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
CID 89174477
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
CID 171604045
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
3-(6-bromo-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 25168854
1-phenylpyrrolidin-3-ol
CID 11171152
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
1-(1-methylindazol-5-yl)pyrrolidin-3-ol
CID 151995234
1-(2-bromo-4-pyridinyl)piperidin-4-ol
CID 130113709
4-hydroxy-1-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]pyridin-2-one
CID 59704541
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290

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).