848

2-(pyridin-3-ylmethoxy)aniline

Created:	2009-01-20
Last modified:	2011-06-04

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1 entries where 848 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	12

2D diagram of 848

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Chemical Component Summary
Name	2-(pyridin-3-ylmethoxy)aniline
Systematic Name (OpenEye OEToolkits)	2-(pyridin-3-ylmethoxy)aniline
Formula	C₁₂ H₁₂ N₂ O
Molecular Weight	200.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccccc1N)Cc2cccnc2
SMILES	CACTVS	3.341	Nc1ccccc1OCc2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)N)OCc2cccnc2
Canonical SMILES	CACTVS	3.341	Nc1ccccc1OCc2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)N)OCc2cccnc2
InChI	InChI	1.03	InChI=1S/C12H12N2O/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8H,9,13H2
InChIKey	InChI	1.03	NISBBHHUQZRGQA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8027171
ChEMBL	CHEMBL566838

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