Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

HEW : Summary

Code

HEW

One-letter code

X

Molecule name

4-bromanylpyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-bromanylpyridin-2-amine

Formula

C5 H5 Br N2

Formal charge

0

Molecular weight

173.011 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1cc(Br)ccn1
SMILES OpenEye OEToolkits 2.0.6 c1cnc(cc1Br)N
Canonical SMILES CACTVS 3.385 Nc1cc(Br)ccn1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cnc(cc1Br)N

IUPAC InChI

InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)

IUPAC InChI key

BAQKUNMKVAPWGU-UHFFFAOYSA-N
HEW

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

2018-12-04

Last modified at

2019-03-15

Status

Released

Obsoleted

Not Assigned