Chemical Components in the PDB

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93E : Summary

Code

93E

One-letter code

X

Molecule name

3-chloranylpyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-chloranylpyridin-2-amine

Formula

C5 H5 Cl N2

Formal charge

0

Molecular weight

128.56 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ncccc1Cl
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(nc1)N)Cl
Canonical SMILES CACTVS 3.385 Nc1ncccc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(nc1)N)Cl

IUPAC InChI

InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)

IUPAC InChI key

RZJPBQGRCNJYBU-UHFFFAOYSA-N
93E

wwPDB Information

Atom count

13 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-13

Last modified at

2017-07-07

Status

Released

Obsoleted

Not Assigned