(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol

C9H11FIN3O — CID 134406507

IUPAC(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol
SMILESO[C@H]1CCN(c2ccc(I)nn2)C[C@H]1F
InChIInChI=1S/C9H11FIN3O/c10-6-5-14(4-3-7(6)15)9-2-1-8(11)12-13-9/h1-2,6-7,15H,3-5H2/t6-,7+/m1/s1
InChIKeyUOEFSMYKELRZIL-RQJHMYQMSA-N
MW323.11 g/mol
LogP0.99
Rot. Bonds1

About (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol

(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol (PubChem CID 134406507) has the molecular formula C9H11FIN3O and a molecular weight of 323.11 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol
PubChem CID134406507
Molecular FormulaC9H11FIN3O
Molecular Weight323.11 g/mol
Exact Mass322.99
IUPAC Name(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol
SMILESO[C@H]1CCN(c2ccc(I)nn2)C[C@H]1F
InChIInChI=1S/C9H11FIN3O/c10-6-5-14(4-3-7(6)15)9-2-1-8(11)12-13-9/h1-2,6-7,15H,3-5H2/t6-,7+/m1/s1
InChIKeyUOEFSMYKELRZIL-RQJHMYQMSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol?
The IUPAC name of (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol (CID 134406507) is (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol?
The canonical SMILES for (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol is O[C@H]1CCN(c2ccc(I)nn2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol?
The InChIKey is UOEFSMYKELRZIL-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11FIN3O/c10-6-5-14(4-3-7(6)15)9-2-1-8(11)12-13-9/h1-2,6-7,15H,3-5H2/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol?
(3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol has a molecular weight of 323.11 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-ol is sourced from PubChem (CID 134406507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).