R8A

(2-aminopyridin-3-yl)methanol

Created:	2020-02-10
Last modified:	2020-06-03

Find Related PDB Entry
5 entries where R8A 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	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of R8A

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2-aminopyridin-3-yl)methanol
Systematic Name (OpenEye OEToolkits)	(2-azanylpyridin-3-yl)methanol
Formula	C₆ H₈ N₂ O
Molecular Weight	124.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1nc(N)c(CO)cc1
SMILES	CACTVS	3.385	Nc1ncccc1CO
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(nc1)N)CO
Canonical SMILES	CACTVS	3.385	Nc1ncccc1CO
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(nc1)N)CO
InChI	InChI	1.03	InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
InChIKey	InChI	1.03	FEIACFYXEWBKHU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11159325
CCDC/CSD	LAPFAL

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.