A7Q

(6-phenoxypyridin-3-yl)methanol

Created:	2017-08-16
Last modified:	2017-11-01

Find Related PDB Entry
1 entries where A7Q is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

2D diagram of A7Q

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(6-phenoxypyridin-3-yl)methanol
Systematic Name (OpenEye OEToolkits)	(6-phenoxypyridin-3-yl)methanol
Formula	C₁₂ H₁₁ N O₂
Molecular Weight	201.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCc1ccc(Oc2ccccc2)nc1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Oc2ccc(cn2)CO
Canonical SMILES	CACTVS	3.385	OCc1ccc(Oc2ccccc2)nc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Oc2ccc(cn2)CO
InChI	InChI	1.03	InChI=1S/C12H11NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-8,14H,9H2
InChIKey	InChI	1.03	ZAKRVFYNLKKPOF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776502

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.