3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol

C14H11F3N2O — CID 87120840

IUPAC3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol
SMILESN[C@@H]1C[C@H]1c1ccc(-c2c(F)cc(F)c(O)c2F)nc1
InChIInChI=1S/C14H11F3N2O/c15-8-4-9(16)14(20)13(17)12(8)11-2-1-6(5-19-11)7-3-10(7)18/h1-2,4-5,7,10,20H,3,18H2/t7-,10+/m0/s1
InChIKeyHVMDFXLLIWUMIJ-OIBJUYFYSA-N
MW280.25 g/mol
LogP2.69
Rot. Bonds2

About 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol

3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol (PubChem CID 87120840) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol.

Molecular Properties

Compound Name3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol
PubChem CID87120840
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol
SMILESN[C@@H]1C[C@H]1c1ccc(-c2c(F)cc(F)c(O)c2F)nc1
InChIInChI=1S/C14H11F3N2O/c15-8-4-9(16)14(20)13(17)12(8)11-2-1-6(5-19-11)7-3-10(7)18/h1-2,4-5,7,10,20H,3,18H2/t7-,10+/m0/s1
InChIKeyHVMDFXLLIWUMIJ-OIBJUYFYSA-N
XLogP2.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol?
The IUPAC name of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol (CID 87120840) is 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol.
What is the SMILES notation for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol?
The canonical SMILES for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol is N[C@@H]1C[C@H]1c1ccc(-c2c(F)cc(F)c(O)c2F)nc1.
What is the InChIKey of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol?
The InChIKey is HVMDFXLLIWUMIJ-OIBJUYFYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-8-4-9(16)14(20)13(17)12(8)11-2-1-6(5-19-11)7-3-10(7)18/h1-2,4-5,7,10,20H,3,18H2/t7-,10+/m0/s1.
What are the key properties of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol?
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol has a molecular weight of 280.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol is sourced from PubChem (CID 87120840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).