A1D8V

5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine

Created:	2024-06-07
Last modified:	2025-04-30

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1 entries where A1D8V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

2D diagram of A1D8V

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Chemical Component Summary
Name	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine
Systematic Name (OpenEye OEToolkits)	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine
Formula	C₉ H₁₁ Cl N₂ O
Molecular Weight	198.649
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(OC[CH]2CCN2)cn1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1OCC2CCN2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(OC[C@@H]2CCN2)cn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1OC[C@@H]2CCN2)Cl
InChI	InChI	1.06	InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
InChIKey	InChI	1.06	MKTAGSRKQIGEBH-ZETCQYMHSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.