Chemical Components in the PDB

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T8V : Summary

Code

T8V

One-letter code

X

Molecule name

N-(2-chloropyridin-3-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-chloropyridin-3-yl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-chloranylpyridin-3-yl)ethanamide

Formula

C7 H7 Cl N2 O

Formal charge

0

Molecular weight

170.596 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cccc(c1Cl)NC(C)=O
SMILES CACTVS 3.385 CC(=O)Nc1cccnc1Cl
SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccnc1Cl
Canonical SMILES CACTVS 3.385 CC(=O)Nc1cccnc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccnc1Cl

IUPAC InChI

InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)

IUPAC InChI key

KWZIDENWDCKKPW-UHFFFAOYSA-N
T8V

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2020-03-20

Status

Released

Obsoleted

Not Assigned