Chemical Components in the PDB

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6NM : Summary

Code

6NM

One-letter code

X

Molecule name

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

Formula

C15 H10 F3 N3

Formal charge

0

Molecular weight

289.255 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3
SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3
Canonical SMILES CACTVS 3.385 FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3

IUPAC InChI

InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)

IUPAC InChI key

UZOPNNYVHHABCA-UHFFFAOYSA-N
6NM

wwPDB Information

Atom count

31 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-03

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned