AN4

3,4,5,6-tetrahydro-2,3'-bipyridine

Created:	2009-07-09
Last modified:	2020-06-05

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1 entries where AN4 is found as a standalone ligand

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

2D diagram of AN4

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Chemical Component Summary
Name	3,4,5,6-tetrahydro-2,3'-bipyridine
Synonyms	anabaseine
Systematic Name (OpenEye OEToolkits)	3-(3,4,5,6-tetrahydropyridin-2-yl)pyridine
Formula	C₁₀ H₁₂ N₂
Molecular Weight	160.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2cc(C1=NCCCC1)ccc2
SMILES	CACTVS	3.352	C1CCC(=NC1)c2cccnc2
SMILES	OpenEye OEToolkits	1.6.1	c1cc(cnc1)C2=NCCCC2
Canonical SMILES	CACTVS	3.352	C1CCC(=NC1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(cnc1)C2=NCCCC2
InChI	InChI	1.03	InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
InChIKey	InChI	1.03	AUBPMADJYNSPOA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18985
ChEMBL	CHEMBL1230982
ChEBI	CHEBI:80787

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