1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol

C10H11Cl3N2O — CID 102750356

IUPAC1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl3N2O/c11-7-4-8(12)10(14-9(7)13)15-3-1-2-6(16)5-15/h4,6,16H,1-3,5H2
InChIKeyDFPLKNMOACAHAO-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.00
Rot. Bonds1

About 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol

1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol (PubChem CID 102750356) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
PubChem CID102750356
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl3N2O/c11-7-4-8(12)10(14-9(7)13)15-3-1-2-6(16)5-15/h4,6,16H,1-3,5H2
InChIKeyDFPLKNMOACAHAO-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol?
The IUPAC name of 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol (CID 102750356) is 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol.
What is the SMILES notation for 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol?
The canonical SMILES for 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol is OC1CCCN(c2nc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol?
The InChIKey is DFPLKNMOACAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c11-7-4-8(12)10(14-9(7)13)15-3-1-2-6(16)5-15/h4,6,16H,1-3,5H2.
What are the key properties of 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol?
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol has a molecular weight of 281.57 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 102750356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).