5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine

C17H19ClIN3O2 — CID 118497284

IUPAC5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(Oc3ccc(I)cn3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C17H19ClIN3O2/c1-11-10-22(14-7-17(23-2)21-9-13(14)18)6-5-15(11)24-16-4-3-12(19)8-20-16/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUCGKSLLXELNJNF-UHFFFAOYSA-N
MW459.72 g/mol
LogP4.04
Rot. Bonds4

About 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine

5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine (PubChem CID 118497284) has the molecular formula C17H19ClIN3O2 and a molecular weight of 459.72 g/mol. Its IUPAC name is 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
PubChem CID118497284
Molecular FormulaC17H19ClIN3O2
Molecular Weight459.72 g/mol
Exact Mass459.02
IUPAC Name5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(Oc3ccc(I)cn3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C17H19ClIN3O2/c1-11-10-22(14-7-17(23-2)21-9-13(14)18)6-5-15(11)24-16-4-3-12(19)8-20-16/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUCGKSLLXELNJNF-UHFFFAOYSA-N
XLogP4.04
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.72
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine?
The IUPAC name of 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine (CID 118497284) is 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine is COc1cc(N2CCC(Oc3ccc(I)cn3)C(C)C2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine?
The InChIKey is UCGKSLLXELNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClIN3O2/c1-11-10-22(14-7-17(23-2)21-9-13(14)18)6-5-15(11)24-16-4-3-12(19)8-20-16/h3-4,7-9,11,15H,5-6,10H2,1-2H3.
What are the key properties of 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine?
5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine has a molecular weight of 459.72 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine is sourced from PubChem (CID 118497284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).