3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine

C9H10BrClN2O — CID 22491713

IUPAC3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine
SMILESClc1ncc(OC2CCNC2)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
InChIKeySSZZSICQMXUHQC-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.24
Rot. Bonds2

About 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine

3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine (PubChem CID 22491713) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine
PubChem CID22491713
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine
SMILESClc1ncc(OC2CCNC2)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
InChIKeySSZZSICQMXUHQC-UHFFFAOYSA-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-pyrrolidin-3-yloxypyridine?
The IUPAC name of 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine (CID 22491713) is 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine is Clc1ncc(OC2CCNC2)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine?
The InChIKey is SSZZSICQMXUHQC-UHFFFAOYSA-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.
What are the key properties of 3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine?
3-bromo-2-chloro-5-pyrrolidin-3-yloxypyridine 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-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 22491713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).