2-(3-bromopiperidin-1-yl)-5-methoxypyridine

C11H15BrN2O — CID 106505131

IUPAC2-(3-bromopiperidin-1-yl)-5-methoxypyridine
SMILESCOc1ccc(N2CCCC(Br)C2)nc1
InChIInChI=1S/C11H15BrN2O/c1-15-10-4-5-11(13-7-10)14-6-2-3-9(12)8-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJZWTVEMMPNXUFV-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.45
Rot. Bonds2

About 2-(3-bromopiperidin-1-yl)-5-methoxypyridine

2-(3-bromopiperidin-1-yl)-5-methoxypyridine (PubChem CID 106505131) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(3-bromopiperidin-1-yl)-5-methoxypyridine.

Molecular Properties

Compound Name2-(3-bromopiperidin-1-yl)-5-methoxypyridine
PubChem CID106505131
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(3-bromopiperidin-1-yl)-5-methoxypyridine
SMILESCOc1ccc(N2CCCC(Br)C2)nc1
InChIInChI=1S/C11H15BrN2O/c1-15-10-4-5-11(13-7-10)14-6-2-3-9(12)8-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJZWTVEMMPNXUFV-UHFFFAOYSA-N
XLogP2.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopiperidin-1-yl)-5-methoxypyridine?
The IUPAC name of 2-(3-bromopiperidin-1-yl)-5-methoxypyridine (CID 106505131) is 2-(3-bromopiperidin-1-yl)-5-methoxypyridine.
What is the SMILES notation for 2-(3-bromopiperidin-1-yl)-5-methoxypyridine?
The canonical SMILES for 2-(3-bromopiperidin-1-yl)-5-methoxypyridine is COc1ccc(N2CCCC(Br)C2)nc1.
What is the InChIKey of 2-(3-bromopiperidin-1-yl)-5-methoxypyridine?
The InChIKey is JZWTVEMMPNXUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-10-4-5-11(13-7-10)14-6-2-3-9(12)8-14/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 2-(3-bromopiperidin-1-yl)-5-methoxypyridine?
2-(3-bromopiperidin-1-yl)-5-methoxypyridine has a molecular weight of 271.16 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopiperidin-1-yl)-5-methoxypyridine is sourced from PubChem (CID 106505131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).