5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine

C11H14BrClN2 — CID 114869912

IUPAC5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
SMILESCc1cc(N2CCCC(Cl)C2)ncc1Br
InChIInChI=1S/C11H14BrClN2/c1-8-5-11(14-6-10(8)12)15-4-2-3-9(13)7-15/h5-6,9H,2-4,7H2,1H3
InChIKeyFETQWIBORBURQA-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.36
Rot. Bonds1

About 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine

5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine (PubChem CID 114869912) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
PubChem CID114869912
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
SMILESCc1cc(N2CCCC(Cl)C2)ncc1Br
InChIInChI=1S/C11H14BrClN2/c1-8-5-11(14-6-10(8)12)15-4-2-3-9(13)7-15/h5-6,9H,2-4,7H2,1H3
InChIKeyFETQWIBORBURQA-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine (CID 114869912) is 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine is Cc1cc(N2CCCC(Cl)C2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine?
The InChIKey is FETQWIBORBURQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-8-5-11(14-6-10(8)12)15-4-2-3-9(13)7-15/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine?
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine has a molecular weight of 289.60 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine is sourced from PubChem (CID 114869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).