3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine

C9H10BrClN2O — CID 10221264

IUPAC3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESClc1ncc(O[C@@H]2CCNC2)cc1Br
InChIInChI=1S/C9H10BrClN2O/c10-8-3-7(5-13-9(8)11)14-6-1-2-12-4-6/h3,5-6,12H,1-2,4H2/t6-/m1/s1
InChIKeySSZZSICQMXUHQC-ZCFIWIBFSA-N
MW277.55 g/mol
LogP2.24
Rot. Bonds2

About 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine

3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine (PubChem CID 10221264) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine
PubChem CID10221264
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESClc1ncc(O[C@@H]2CCNC2)cc1Br
InChIInChI=1S/C9H10BrClN2O/c10-8-3-7(5-13-9(8)11)14-6-1-2-12-4-6/h3,5-6,12H,1-2,4H2/t6-/m1/s1
InChIKeySSZZSICQMXUHQC-ZCFIWIBFSA-N
XLogP2.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine (CID 10221264) is 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine is Clc1ncc(O[C@@H]2CCNC2)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
The InChIKey is SSZZSICQMXUHQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-8-3-7(5-13-9(8)11)14-6-1-2-12-4-6/h3,5-6,12H,1-2,4H2/t6-/m1/s1.
What are the key properties of 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine?
3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine has a molecular weight of 277.55 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 10221264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).