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DN7 : Summary

Code

DN7

One-letter code

X

Molecule name

4-[(pyridin-2-yl)oxy]benzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(pyridin-2-yl)oxy]benzoic acid
OpenEye OEToolkits 2.0.6 4-pyridin-2-yloxybenzoic acid

Formula

C12 H9 N O3

Formal charge

0

Molecular weight

215.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1C(O)=O)Oc2ccccn2
SMILES CACTVS 3.385 OC(=O)c1ccc(Oc2ccccn2)cc1
SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)Oc2ccc(cc2)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(Oc2ccccn2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)Oc2ccc(cc2)C(=O)O

IUPAC InChI

InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)

IUPAC InChI key

GKSKQZLHPWBLJL-UHFFFAOYSA-N
DN7

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-31

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned