C0J

2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile

Created:	2017-09-06
Last modified:	2018-09-12

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1 entries where C0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of C0J

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Chemical Component Summary
Name	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-6-(2-pyridin-2-ylethylamino)benzenecarbonitrile
Formula	C₁₄ H₁₂ F N₃
Molecular Weight	241.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(C#N)c(NCCc1ccccn1)cccc2F
SMILES	CACTVS	3.385	Fc1cccc(NCCc2ccccn2)c1C#N
SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)CCNc2cccc(c2C#N)F
Canonical SMILES	CACTVS	3.385	Fc1cccc(NCCc2ccccn2)c1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)CCNc2cccc(c2C#N)F
InChI	InChI	1.03	InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
InChIKey	InChI	1.03	YVRWCTBZWMJROU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2804360

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