Chemical Components in the PDB

pdbe.org/chem
spacer

0X2 : Summary

Code

0X2

One-letter code

X

Molecule name

2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
OpenEye OEToolkits 1.7.6 2,6-bis(chloranyl)-N-(6-oxidanylidene-3H-pyridin-4-yl)benzamide

Formula

C12 H8 Cl2 N2 O2

Formal charge

0

Molecular weight

283.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2
SMILES CACTVS 3.370 Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl
Canonical SMILES CACTVS 3.370 Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl

IUPAC InChI

InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)

IUPAC InChI key

HKIJJBMBTHKEPC-UHFFFAOYSA-N
0X2

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-17

Last modified at

2013-06-14

Status

Released

Obsoleted

Not Assigned