[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol

C12H15F3N2O — CID 106364159

IUPAC[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17)
InChIKeyDZAOJYSWQOZBJZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.46
Rot. Bonds3

About [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol

[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 106364159) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID106364159
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17)
InChIKeyDZAOJYSWQOZBJZ-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.46
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 [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol (CID 106364159) is [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol is OCC1CCCCC1Nc1nc(F)c(F)cc1F.
What is the InChIKey of [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is DZAOJYSWQOZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17).
What are the key properties of [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol?
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106364159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).