(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol

C10H11ClFIN2O — CID 172626910

IUPAC(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol
SMILESO[C@@H]1CN(c2cc(Cl)ncc2I)CC[C@H]1F
InChIInChI=1S/C10H11ClFIN2O/c11-10-3-8(7(13)4-14-10)15-2-1-6(12)9(16)5-15/h3-4,6,9,16H,1-2,5H2/t6-,9-/m1/s1
InChIKeyLSRZKOSPUZMYNS-HZGVNTEJSA-N
MW356.57 g/mol
LogP2.25
Rot. Bonds1

About (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol

(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol (PubChem CID 172626910) has the molecular formula C10H11ClFIN2O and a molecular weight of 356.57 g/mol. Its IUPAC name is (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol
PubChem CID172626910
Molecular FormulaC10H11ClFIN2O
Molecular Weight356.57 g/mol
Exact Mass355.96
IUPAC Name(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol
SMILESO[C@@H]1CN(c2cc(Cl)ncc2I)CC[C@H]1F
InChIInChI=1S/C10H11ClFIN2O/c11-10-3-8(7(13)4-14-10)15-2-1-6(12)9(16)5-15/h3-4,6,9,16H,1-2,5H2/t6-,9-/m1/s1
InChIKeyLSRZKOSPUZMYNS-HZGVNTEJSA-N
XLogP2.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.57
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol (CID 172626910) is (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol is O[C@@H]1CN(c2cc(Cl)ncc2I)CC[C@H]1F.
What is the InChIKey of (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol?
The InChIKey is LSRZKOSPUZMYNS-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11ClFIN2O/c11-10-3-8(7(13)4-14-10)15-2-1-6(12)9(16)5-15/h3-4,6,9,16H,1-2,5H2/t6-,9-/m1/s1.
What are the key properties of (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol?
(3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol has a molecular weight of 356.57 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-chloro-5-iodo-4-pyridinyl)-4-fluoropiperidin-3-ol is sourced from PubChem (CID 172626910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).