![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
X4P : Summary
Code ![](/pdbe/static/images/help.png)
|
X4P
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-chloropyridine-4-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C6 H5 Cl N2 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
156.57 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
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 ![](/pdbe/static/images/help.png) | InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DEMJOLRJLACBRX-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
15 (10 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
non-polymer
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2020-11-30
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-12-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|