3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine

C11H16BrN3 — CID 80676121

IUPAC3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCCC2CBr)nn1
InChIInChI=1S/C11H16BrN3/c1-9-5-6-11(14-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyBWEFTGUEYHREMO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.54
Rot. Bonds2

About 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine

3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine (PubChem CID 80676121) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
PubChem CID80676121
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCCC2CBr)nn1
InChIInChI=1S/C11H16BrN3/c1-9-5-6-11(14-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyBWEFTGUEYHREMO-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.54
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 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine (CID 80676121) is 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCCCC2CBr)nn1.
What is the InChIKey of 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The InChIKey is BWEFTGUEYHREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-5-6-11(14-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine has a molecular weight of 270.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 80676121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).