trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol

C11H15FN2O — CID 94415690

IUPACtrans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cccc(F)n1
InChIInChI=1S/C11H15FN2O/c12-10-6-3-7-11(14-10)13-8-4-1-2-5-9(8)15/h3,6-9,15H,1-2,4-5H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyIRWQQCFXRRBLRZ-IUCAKERBSA-N
MW210.25 g/mol
LogP1.94
Rot. Bonds2

About trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 94415690) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID94415690
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Nametrans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cccc(F)n1
InChIInChI=1S/C11H15FN2O/c12-10-6-3-7-11(14-10)13-8-4-1-2-5-9(8)15/h3,6-9,15H,1-2,4-5H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyIRWQQCFXRRBLRZ-IUCAKERBSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (CID 94415690) is trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cccc(F)n1.
What is the InChIKey of trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is IRWQQCFXRRBLRZ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-6-3-7-11(14-10)13-8-4-1-2-5-9(8)15/h3,6-9,15H,1-2,4-5H2,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 94415690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).