Chemical Components in the PDB

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X4P : Summary

Code

X4P

One-letter code

X

Molecule name

2-chloropyridine-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-chloropyridine-4-carboxamide
OpenEye OEToolkits 2.0.7 2-chloranylpyridine-4-carboxamide

Formula

C6 H5 Cl N2 O

Formal charge

0

Molecular weight

156.57 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(N)(c1cc(Cl)ncc1)=O
SMILES CACTVS 3.385 NC(=O)c1ccnc(Cl)c1
SMILES OpenEye OEToolkits 2.0.7 c1cnc(cc1C(=O)N)Cl
Canonical SMILES CACTVS 3.385 NC(=O)c1ccnc(Cl)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cnc(cc1C(=O)N)Cl

IUPAC InChI

InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)

IUPAC InChI key

DEMJOLRJLACBRX-UHFFFAOYSA-N
X4P

wwPDB Information

Atom count

15 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-11-30

Last modified at

2020-12-04

Status

Released

Obsoleted

Not Assigned