Chemical Components in the PDB

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BK0 : Summary

Code

BK0

One-letter code

X

Molecule name

N-(3-chlorophenyl)pyridine-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(3-chlorophenyl)pyridine-2-carboxamide

Formula

C12 H9 Cl N2 O

Formal charge

0

Molecular weight

232.666 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1cccc(NC(=O)c2ccccn2)c1
SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
Canonical SMILES CACTVS 3.385 Clc1cccc(NC(=O)c2ccccn2)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)C(=O)Nc2cccc(c2)Cl

IUPAC InChI

InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)

IUPAC InChI key

SUYUTNCKIOLMAJ-UHFFFAOYSA-N
BK0

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

2023-05-17

Last modified at

2023-06-16

Status

Released

Obsoleted

Not Assigned