2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine

C11H14BrFN2 — CID 80668710

IUPAC2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCC(CBr)CC2)nc1
InChIInChI=1S/C11H14BrFN2/c12-7-9-3-5-15(6-4-9)11-2-1-10(13)8-14-11/h1-2,8-9H,3-7H2
InChIKeyKDESWQGYEBIQDE-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.83
Rot. Bonds2

About 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine

2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine (PubChem CID 80668710) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
PubChem CID80668710
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCC(CBr)CC2)nc1
InChIInChI=1S/C11H14BrFN2/c12-7-9-3-5-15(6-4-9)11-2-1-10(13)8-14-11/h1-2,8-9H,3-7H2
InChIKeyKDESWQGYEBIQDE-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.83
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 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine (CID 80668710) is 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine is Fc1ccc(N2CCC(CBr)CC2)nc1.
What is the InChIKey of 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The InChIKey is KDESWQGYEBIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-7-9-3-5-15(6-4-9)11-2-1-10(13)8-14-11/h1-2,8-9H,3-7H2.
What are the key properties of 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine has a molecular weight of 273.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine is sourced from PubChem (CID 80668710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).