Chemical Components in the PDB

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6P3 : Summary

Code

6P3

One-letter code

X

Molecule name

6-phenylpyridine-3-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 6-phenylpyridine-3-carboxylic acid
OpenEye OEToolkits 1.7.6 6-phenylpyridine-3-carboxylic acid

Formula

C12 H9 N O2

Formal charge

0

Molecular weight

199.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c2cnc(c1ccccc1)cc2
SMILES CACTVS 3.370 OC(=O)c1ccc(nc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cn2)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)c1ccc(nc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cn2)C(=O)O

IUPAC InChI

InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)

IUPAC InChI key

DLFLQXUYRFIFOK-UHFFFAOYSA-N
6P3

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-18

Last modified at

2013-01-18

Status

Released

Obsoleted

Not Assigned