IJF

(4-bromanylpyridin-2-yl)methanol

Created:	2022-03-22
Last modified:	2022-11-23

Find Related PDB Entry
2 entries where IJF 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	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of IJF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(4-bromanylpyridin-2-yl)methanol
Systematic Name (OpenEye OEToolkits)	(4-bromanylpyridin-2-yl)methanol
Formula	C₆ H₆ Br N O
Molecular Weight	188.022
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCc1cc(Br)ccn1
SMILES	OpenEye OEToolkits	2.0.7	c1cnc(cc1Br)CO
Canonical SMILES	CACTVS	3.385	OCc1cc(Br)ccn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cnc(cc1Br)CO
InChI	InChI	1.06	InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKey	InChI	1.06	MHVUUSQGWMQSMH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14761462

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.