3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine

C10H12Cl2N2O — CID 166808122

IUPAC3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine
SMILESClc1cccnc1O[C@@H]1CCN[C@@H](Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c11-8-2-1-4-14-10(8)15-7-3-5-13-9(12)6-7/h1-2,4,7,9,13H,3,5-6H2/t7-,9-/m1/s1
InChIKeyOLJXMXZFTPFKGC-VXNVDRBHSA-N
MW247.12 g/mol
LogP2.43
Rot. Bonds2

About 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine

3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine (PubChem CID 166808122) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine
PubChem CID166808122
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine
SMILESClc1cccnc1O[C@@H]1CCN[C@@H](Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c11-8-2-1-4-14-10(8)15-7-3-5-13-9(12)6-7/h1-2,4,7,9,13H,3,5-6H2/t7-,9-/m1/s1
InChIKeyOLJXMXZFTPFKGC-VXNVDRBHSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine (CID 166808122) is 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine is Clc1cccnc1O[C@@H]1CCN[C@@H](Cl)C1.
What is the InChIKey of 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine?
The InChIKey is OLJXMXZFTPFKGC-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-8-2-1-4-14-10(8)15-7-3-5-13-9(12)6-7/h1-2,4,7,9,13H,3,5-6H2/t7-,9-/m1/s1.
What are the key properties of 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine?
3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine has a molecular weight of 247.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine is sourced from PubChem (CID 166808122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).