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

C13H19FN2O — CID 123568153

IUPAC4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCCc1cnc(NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-2-9-7-12(14)13(15-8-9)16-10-3-5-11(17)6-4-10/h7-8,10-11,17H,2-6H2,1H3,(H,15,16)
InChIKeyIIQCHMWLWSJKDP-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.50
Rot. Bonds3

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

4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 123568153) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID123568153
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCCc1cnc(NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-2-9-7-12(14)13(15-8-9)16-10-3-5-11(17)6-4-10/h7-8,10-11,17H,2-6H2,1H3,(H,15,16)
InChIKeyIIQCHMWLWSJKDP-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (CID 123568153) is 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is CCc1cnc(NC2CCC(O)CC2)c(F)c1.
What is the InChIKey of 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is IIQCHMWLWSJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-9-7-12(14)13(15-8-9)16-10-3-5-11(17)6-4-10/h7-8,10-11,17H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 123568153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).