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4F9 : Summary

Code

4F9

One-letter code

X

Molecule name

4-(1H-imidazol-5-yl)pyridine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(1H-imidazol-5-yl)pyridine
OpenEye OEToolkits 1.9.2 4-(1H-imidazol-5-yl)pyridine

Formula

C8 H7 N3

Formal charge

0

Molecular weight

145.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(ccnc1)c2cncn2
SMILES CACTVS 3.385 [nH]1cncc1c2ccncc2
SMILES OpenEye OEToolkits 1.9.2 c1cnccc1c2cnc[nH]2
Canonical SMILES CACTVS 3.385 [nH]1cncc1c2ccncc2
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cnccc1c2cnc[nH]2

IUPAC InChI

InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11)

IUPAC InChI key

AJQQGJNKKDEODG-UHFFFAOYSA-N
4F9

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

2015-03-16

Last modified at

2016-03-11

Status

Released

Obsoleted

Not Assigned