Chemical Components in the PDB

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MPI : Summary

Code

MPI

One-letter code

X

Molecule name

IMIDAZO[1,2-A]PYRIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-imidazo[1,2-a]pyridin-4-ium
OpenEye OEToolkits 1.5.0 1H-imidazo[1,2-a]pyridin-4-ium

Formula

C7 H7 N2

Formal charge

1

Molecular weight

119.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc2[n+]1ccn2
SMILES CACTVS 3.341 [nH]1cc[n+]2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1cc[n+]2cc[nH]c2c1
Canonical SMILES CACTVS 3.341 [nH]1cc[n+]2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc[n+]2cc[nH]c2c1

IUPAC InChI

InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H/p+1

IUPAC InChI key

UTCSSFWDNNEEBH-UHFFFAOYSA-O
MPI

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned