09R

1-(6-bromopyridin-3-yl)-1,4-diazepane

Created:	2011-11-07
Last modified:	2011-11-07

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2 entries where 09R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of 09R

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Chemical Component Summary
Name	1-(6-bromopyridin-3-yl)-1,4-diazepane
Systematic Name (OpenEye OEToolkits)	1-(6-bromanylpyridin-3-yl)-1,4-diazepane
Formula	C₁₀ H₁₄ Br N₃
Molecular Weight	256.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ncc(cc1)N2CCCNCC2
SMILES	CACTVS	3.370	Brc1ccc(cn1)N2CCCNCC2
SMILES	OpenEye OEToolkits	1.7.2	c1cc(ncc1N2CCCNCC2)Br
Canonical SMILES	CACTVS	3.370	Brc1ccc(cn1)N2CCCNCC2
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(ncc1N2CCCNCC2)Br
InChI	InChI	1.03	InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
InChIKey	InChI	1.03	JRNYLCIPPWHNEJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10131290
ChEMBL	CHEMBL306387

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