4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol

C11H14BrClN2O3 — CID 175550530

IUPAC4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol
SMILESOc1c(Br)cc(Cl)nc1OCC(O)[C@H]1CCCN1
InChIInChI=1S/C11H14BrClN2O3/c12-6-4-9(13)15-11(10(6)17)18-5-8(16)7-2-1-3-14-7/h4,7-8,14,16-17H,1-3,5H2/t7-,8?/m1/s1
InChIKeyMEKQAMIZAOYAOX-GVHYBUMESA-N
MW337.60 g/mol
LogP1.69
Rot. Bonds4

About 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol

4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol (PubChem CID 175550530) has the molecular formula C11H14BrClN2O3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol.

Molecular Properties

Compound Name4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol
PubChem CID175550530
Molecular FormulaC11H14BrClN2O3
Molecular Weight337.60 g/mol
Exact Mass335.99
IUPAC Name4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol
SMILESOc1c(Br)cc(Cl)nc1OCC(O)[C@H]1CCCN1
InChIInChI=1S/C11H14BrClN2O3/c12-6-4-9(13)15-11(10(6)17)18-5-8(16)7-2-1-3-14-7/h4,7-8,14,16-17H,1-3,5H2/t7-,8?/m1/s1
InChIKeyMEKQAMIZAOYAOX-GVHYBUMESA-N
XLogP1.69
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol?
The IUPAC name of 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol (CID 175550530) is 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol.
What is the SMILES notation for 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol?
The canonical SMILES for 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol is Oc1c(Br)cc(Cl)nc1OCC(O)[C@H]1CCCN1.
What is the InChIKey of 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol?
The InChIKey is MEKQAMIZAOYAOX-GVHYBUMESA-N. The full InChI is InChI=1S/C11H14BrClN2O3/c12-6-4-9(13)15-11(10(6)17)18-5-8(16)7-2-1-3-14-7/h4,7-8,14,16-17H,1-3,5H2/t7-,8?/m1/s1.
What are the key properties of 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol?
4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol has a molecular weight of 337.60 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-[2-hydroxy-2-[(2R)-pyrrolidin-2-yl]ethoxy]pyridin-3-ol is sourced from PubChem (CID 175550530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).