3-bromo-2-chloro-6-piperidin-4-yloxypyridine

C10H12BrClN2O — CID 11277752

IUPAC3-bromo-2-chloro-6-piperidin-4-yloxypyridine
SMILESClc1nc(OC2CCNCC2)ccc1Br
InChIInChI=1S/C10H12BrClN2O/c11-8-1-2-9(14-10(8)12)15-7-3-5-13-6-4-7/h1-2,7,13H,3-6H2
InChIKeyOHIAOGIUQZFYCA-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.63
Rot. Bonds2

About 3-bromo-2-chloro-6-piperidin-4-yloxypyridine

3-bromo-2-chloro-6-piperidin-4-yloxypyridine (PubChem CID 11277752) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-piperidin-4-yloxypyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-6-piperidin-4-yloxypyridine
PubChem CID11277752
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name3-bromo-2-chloro-6-piperidin-4-yloxypyridine
SMILESClc1nc(OC2CCNCC2)ccc1Br
InChIInChI=1S/C10H12BrClN2O/c11-8-1-2-9(14-10(8)12)15-7-3-5-13-6-4-7/h1-2,7,13H,3-6H2
InChIKeyOHIAOGIUQZFYCA-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.63
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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Related Compounds

CID 62348173
CID 62348173
CID 62342453
CID 62342453
CID 62344243
CID 62344243
CID 11264329
CID 11264329
CID 127030000
CID 127030000
CID 165984948
CID 165984948
CID 71779116
CID 71779116
CID 71779117
CID 71779117
CID 118498702
CID 118498702
CID 126689161
CID 126689161
CID 23133437
CID 23133437
CID 108160253
CID 108160253

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-piperidin-4-yloxypyridine?
The IUPAC name of 3-bromo-2-chloro-6-piperidin-4-yloxypyridine (CID 11277752) is 3-bromo-2-chloro-6-piperidin-4-yloxypyridine.
What is the SMILES notation for 3-bromo-2-chloro-6-piperidin-4-yloxypyridine?
The canonical SMILES for 3-bromo-2-chloro-6-piperidin-4-yloxypyridine is Clc1nc(OC2CCNCC2)ccc1Br.
What is the InChIKey of 3-bromo-2-chloro-6-piperidin-4-yloxypyridine?
The InChIKey is OHIAOGIUQZFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-8-1-2-9(14-10(8)12)15-7-3-5-13-6-4-7/h1-2,7,13H,3-6H2.
What are the key properties of 3-bromo-2-chloro-6-piperidin-4-yloxypyridine?
3-bromo-2-chloro-6-piperidin-4-yloxypyridine has a molecular weight of 291.58 g/mol, XLogP of 2.63, 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-6-piperidin-4-yloxypyridine is sourced from PubChem (CID 11277752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).