1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol

C10H12BrFN2O — CID 104918772

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol
SMILESOC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-3-1-8(15)2-4-14/h5-6,8,15H,1-4H2
InChIKeyZSMQUYAECSDEDG-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.94
Rot. Bonds1

About 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol

1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol (PubChem CID 104918772) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol
PubChem CID104918772
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol
SMILESOC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-3-1-8(15)2-4-14/h5-6,8,15H,1-4H2
InChIKeyZSMQUYAECSDEDG-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol (CID 104918772) is 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol is OC1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol?
The InChIKey is ZSMQUYAECSDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-3-1-8(15)2-4-14/h5-6,8,15H,1-4H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol?
1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol has a molecular weight of 275.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 104918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).