Chemical Components in the PDB

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Y25 : Summary

Code

Y25

One-letter code

X

Molecule name

5-chloropyridin-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 5-chloropyridin-3-ol
OpenEye OEToolkits 2.0.7 5-chloranylpyridin-3-ol

Formula

C5 H4 Cl N O

Formal charge

0

Molecular weight

129.544 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1cncc(Cl)c1
SMILES CACTVS 3.385 Oc1cncc(Cl)c1
SMILES OpenEye OEToolkits 2.0.7 c1c(cncc1Cl)O
Canonical SMILES CACTVS 3.385 Oc1cncc(Cl)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(cncc1Cl)O

IUPAC InChI

InChI=1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H

IUPAC InChI key

TUIDQYRZDZRHPQ-UHFFFAOYSA-N
Y25

wwPDB Information

Atom count

12 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-11-14

Last modified at

2024-02-09

Status

Released

Obsoleted

Not Assigned