A1BDJ

5-fluoro-N-(oxan-4-yl)pyridin-2-amine

Created:	2024-10-15
Last modified:	2024-10-30

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2 entries where A1BDJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of A1BDJ

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Chemical Component Summary
Name	5-fluoro-N-(oxan-4-yl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	5-fluoranyl-~{N}-(oxan-4-yl)pyridin-2-amine
Formula	C₁₀ H₁₃ F N₂ O
Molecular Weight	196.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1ccc(nc1)NC1CCOCC1
SMILES	CACTVS	3.385	Fc1ccc(NC2CCOCC2)nc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ncc1F)NC2CCOCC2
Canonical SMILES	CACTVS	3.385	Fc1ccc(NC2CCOCC2)nc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ncc1F)NC2CCOCC2
InChI	InChI	1.06	InChI=1S/C10H13FN2O/c11-8-1-2-10(12-7-8)13-9-3-5-14-6-4-9/h1-2,7,9H,3-6H2,(H,12,13)
InChIKey	InChI	1.06	DGYWCGILBGNERL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	52092806

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.