2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine

C11H14BrFN2 — CID 87165595

IUPAC2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine
SMILESFC1CCCN(Cc2cccc(Br)n2)C1
InChIInChI=1S/C11H14BrFN2/c12-11-5-1-4-10(14-11)8-15-6-2-3-9(13)7-15/h1,4-5,9H,2-3,6-8H2
InChIKeyLPCMMXSLUDIGEG-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.78
Rot. Bonds2

About 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine

2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine (PubChem CID 87165595) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine
PubChem CID87165595
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine
SMILESFC1CCCN(Cc2cccc(Br)n2)C1
InChIInChI=1S/C11H14BrFN2/c12-11-5-1-4-10(14-11)8-15-6-2-3-9(13)7-15/h1,4-5,9H,2-3,6-8H2
InChIKeyLPCMMXSLUDIGEG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine (CID 87165595) is 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine is FC1CCCN(Cc2cccc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine?
The InChIKey is LPCMMXSLUDIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-11-5-1-4-10(14-11)8-15-6-2-3-9(13)7-15/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine?
2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine has a molecular weight of 273.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 87165595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).