Chemical Components in the PDB

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BYZ : Summary

Code

BYZ

One-letter code

X

Molecule name

4-bromo-1H-pyrazole

Systematic names

ProgramVersionName
ACDLabs 12.01 4-bromo-1H-pyrazole
OpenEye OEToolkits 1.7.6 4-bromanyl-1H-pyrazole

Formula

C3 H3 Br N2

Formal charge

0

Molecular weight

146.973 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Brc1cnnc1
SMILES CACTVS 3.370 Brc1c[nH]nc1
SMILES OpenEye OEToolkits 1.7.6 c1c(cn[nH]1)Br
Canonical SMILES CACTVS 3.370 Brc1c[nH]nc1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(cn[nH]1)Br

IUPAC InChI

InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

IUPAC InChI key

WVGCPEDBFHEHEZ-UHFFFAOYSA-N
BYZ

wwPDB Information

Atom count

9 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-07

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned