Chemical Components in the PDB

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0BP : Summary

Code

0BP

One-letter code

X

Molecule name

2,2'-bipyridine

Systematic names

ProgramVersionName
ACDLabs 12.01 2,2'-bipyridine
OpenEye OEToolkits 2.0.6 2-pyridin-2-ylpyridine

Formula

C10 H8 N2

Formal charge

0

Molecular weight

156.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c(c1ccccn1)cccc2
SMILES CACTVS 3.385 c1ccc(nc1)c2ccccn2
SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2ccccn2
Canonical SMILES CACTVS 3.385 c1ccc(nc1)c2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2ccccn2

IUPAC InChI

InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H

IUPAC InChI key

ROFVEXUMMXZLPA-UHFFFAOYSA-N
0BP

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-25

Last modified at

2017-04-28

Status

Released

Obsoleted

Not Assigned