Chemical Components in the PDB

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2ZV : Summary

Code

2ZV

One-letter code

X

Molecule name

4-methyl-3-nitropyridin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methyl-3-nitropyridin-2-amine
OpenEye OEToolkits 1.7.6 4-methyl-3-nitro-pyridin-2-amine

Formula

C6 H7 N3 O2

Formal charge

0

Molecular weight

153.139 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=[N+]([O-])c1c(ccnc1N)C
SMILES CACTVS 3.385 Cc1ccnc(N)c1[N+]([O-])=O
SMILES OpenEye OEToolkits 1.7.6 Cc1ccnc(c1[N+](=O)[O-])N
Canonical SMILES CACTVS 3.385 Cc1ccnc(N)c1[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccnc(c1[N+](=O)[O-])N

IUPAC InChI

InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)

IUPAC InChI key

IKMZGACFMXZAAT-UHFFFAOYSA-N
2ZV

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

2013-09-20

Last modified at

2014-05-09

Status

Released

Obsoleted

Not Assigned