Chemical Components in the PDB

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1ZQ : Summary

Code

1ZQ

One-letter code

X

Molecule name

5,6-bis(4-fluorophenyl)pyridine-2,3-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 5,6-bis(4-fluorophenyl)pyridine-2,3-diol
OpenEye OEToolkits 1.7.6 5,6-bis(4-fluorophenyl)pyridine-2,3-diol

Formula

C17 H11 F2 N O2

Formal charge

0

Molecular weight

299.272 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3
SMILES CACTVS 3.385 Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F
Canonical SMILES CACTVS 3.385 Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F

IUPAC InChI

InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)

IUPAC InChI key

CIZBXDSIEHHRKM-UHFFFAOYSA-N
1ZQ

wwPDB Information

Atom count

33 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-12

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned