Chemical Components in the PDB

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67L : Summary

Code

67L

One-letter code

X

Molecule name

6-(hydroxymethyl)[2,2'-bipyridin]-4-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
OpenEye OEToolkits 2.0.4 2-(hydroxymethyl)-6-pyridin-2-yl-pyridin-4-ol

Formula

C11 H10 N2 O2

Formal charge

0

Molecular weight

202.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccnc1c2cc(O)cc(n2)CO
SMILES CACTVS 3.385 OCc1cc(O)cc(n1)c2ccccn2
SMILES OpenEye OEToolkits 2.0.4 c1ccnc(c1)c2cc(cc(n2)CO)O
Canonical SMILES CACTVS 3.385 OCc1cc(O)cc(n1)c2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccnc(c1)c2cc(cc(n2)CO)O

IUPAC InChI

InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15)

IUPAC InChI key

HKHZGZONLACWBE-UHFFFAOYSA-N
67L

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-02-11

Last modified at

2017-02-10

Status

Released

Obsoleted

Not Assigned