4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol

C13H18BrFN2O — CID 142589992

IUPAC4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol
SMILESC[C@@H](Nc1ncc(F)cc1Br)C1CCC(O)CC1
InChIInChI=1S/C13H18BrFN2O/c1-8(9-2-4-11(18)5-3-9)17-13-12(14)6-10(15)7-16-13/h6-9,11,18H,2-5H2,1H3,(H,16,17)/t8-,9?,11?/m1/s1
InChIKeyXTGUHMDUNCGXEG-FKTRJACZSA-N
MW317.20 g/mol
LogP3.33
Rot. Bonds3

About 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol

4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol (PubChem CID 142589992) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol
PubChem CID142589992
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol
SMILESC[C@@H](Nc1ncc(F)cc1Br)C1CCC(O)CC1
InChIInChI=1S/C13H18BrFN2O/c1-8(9-2-4-11(18)5-3-9)17-13-12(14)6-10(15)7-16-13/h6-9,11,18H,2-5H2,1H3,(H,16,17)/t8-,9?,11?/m1/s1
InChIKeyXTGUHMDUNCGXEG-FKTRJACZSA-N
XLogP3.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol (CID 142589992) is 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol is C[C@@H](Nc1ncc(F)cc1Br)C1CCC(O)CC1.
What is the InChIKey of 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol?
The InChIKey is XTGUHMDUNCGXEG-FKTRJACZSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(9-2-4-11(18)5-3-9)17-13-12(14)6-10(15)7-16-13/h6-9,11,18H,2-5H2,1H3,(H,16,17)/t8-,9?,11?/m1/s1.
What are the key properties of 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol?
4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol has a molecular weight of 317.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 142589992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).