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IJO : Summary

Code

IJO

One-letter code

X

Molecule name

4-bromanyl-2-methoxy-pyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-bromanyl-2-methoxy-pyridine

Formula

C6 H6 Br N O

Formal charge

0

Molecular weight

188.022 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc(Br)ccn1
SMILES OpenEye OEToolkits 2.0.7 COc1cc(ccn1)Br
Canonical SMILES CACTVS 3.385 COc1cc(Br)ccn1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cc(ccn1)Br

IUPAC InChI

InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3

IUPAC InChI key

YFTGMMXMLPTTAY-UHFFFAOYSA-N
IJO

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-03-22

Last modified at

2022-11-18

Status

Released

Obsoleted

Not Assigned