4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid

C12H14FNO3 — CID 146222104

IUPAC4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C12H14FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyUHQDPJSBOKUKGO-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.24
Rot. Bonds3

About 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid

4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid (PubChem CID 146222104) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
PubChem CID146222104
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C12H14FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyUHQDPJSBOKUKGO-UHFFFAOYSA-N
XLogP2.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid (CID 146222104) is 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Oc2cccc(F)n2)CC1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid?
The InChIKey is UHQDPJSBOKUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-3,8-9H,4-7H2,(H,15,16).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid?
4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146222104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).