Chemical Components in the PDB

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O0G : Summary

Code

O0G

One-letter code

X

Molecule name

(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
OpenEye OEToolkits 2.0.6 (2~{S})-2-[(5-chloranyl-3-fluoranyl-pyridin-2-yl)amino]propan-1-ol

Formula

C8 H10 Cl F N2 O

Formal charge

0

Molecular weight

204.629 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(c(cc(c1)Cl)F)NC(C)CO
SMILES CACTVS 3.385 C[CH](CO)Nc1ncc(Cl)cc1F
SMILES OpenEye OEToolkits 2.0.6 CC(CO)Nc1c(cc(cn1)Cl)F
Canonical SMILES CACTVS 3.385 C[C@@H](CO)Nc1ncc(Cl)cc1F
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H](CO)Nc1c(cc(cn1)Cl)F

IUPAC InChI

InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1

IUPAC InChI key

FDEYPUQCROENJQ-YFKPBYRVSA-N
O0G

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-04

Last modified at

2019-08-16

Status

Released

Obsoleted

Not Assigned