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

C9H11BrN2O — CID 94406855

IUPAC3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESBrc1cccnc1O[C@@H]1CCNC1
InChIInChI=1S/C9H11BrN2O/c10-8-2-1-4-12-9(8)13-7-3-5-11-6-7/h1-2,4,7,11H,3,5-6H2/t7-/m1/s1
InChIKeyUOWDFHPJLSADJC-SSDOTTSWSA-N
MW243.10 g/mol
LogP1.58
Rot. Bonds2

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

3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine (PubChem CID 94406855) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
PubChem CID94406855
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESBrc1cccnc1O[C@@H]1CCNC1
InChIInChI=1S/C9H11BrN2O/c10-8-2-1-4-12-9(8)13-7-3-5-11-6-7/h1-2,4,7,11H,3,5-6H2/t7-/m1/s1
InChIKeyUOWDFHPJLSADJC-SSDOTTSWSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine (CID 94406855) is 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine is Brc1cccnc1O[C@@H]1CCNC1.
What is the InChIKey of 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The InChIKey is UOWDFHPJLSADJC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-2-1-4-12-9(8)13-7-3-5-11-6-7/h1-2,4,7,11H,3,5-6H2/t7-/m1/s1.
What are the key properties of 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine has a molecular weight of 243.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 94406855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).