(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol

C9H10BrClN2O — CID 103580205

IUPAC(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O/c10-6-3-8(11)9(12-4-6)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2/t7-/m0/s1
InChIKeyCALMFQYRCKISPK-ZETCQYMHSA-N
MW277.55 g/mol
LogP2.07
Rot. Bonds1

About (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol

(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 103580205) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
PubChem CID103580205
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O/c10-6-3-8(11)9(12-4-6)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2/t7-/m0/s1
InChIKeyCALMFQYRCKISPK-ZETCQYMHSA-N
XLogP2.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
4-(5-bromo-3-chloro-2-pyridinyl)morpholine-2-carbothioamide
CID 103582245
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 144576037

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol (CID 103580205) is (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol is O[C@H]1CCN(c2ncc(Br)cc2Cl)C1.
What is the InChIKey of (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is CALMFQYRCKISPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-6-3-8(11)9(12-4-6)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2/t7-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol?
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 277.55 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 103580205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).