Chemical Components in the PDB

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93Q : Summary

Code

93Q

One-letter code

X

Molecule name

3-methylpyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-methylpyridin-2-amine

Formula

C6 H8 N2

Formal charge

0

Molecular weight

108.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cccnc1N
SMILES OpenEye OEToolkits 2.0.6 Cc1cccnc1N
Canonical SMILES CACTVS 3.385 Cc1cccnc1N
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccnc1N

IUPAC InChI

InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)

IUPAC InChI key

RGDQRXPEZUNWHX-UHFFFAOYSA-N
93Q

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-13

Last modified at

2017-07-07

Status

Released

Obsoleted

Not Assigned