6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid

C18H18FNO3 — CID 135313098

IUPAC6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C18H18FNO3/c19-16-10-14(18(21)22)11-20-17(16)23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)
InChIKeyZUVQMFNSKAQCAM-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.76
Rot. Bonds4

About 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid

6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid (PubChem CID 135313098) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
PubChem CID135313098
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C18H18FNO3/c19-16-10-14(18(21)22)11-20-17(16)23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)
InChIKeyZUVQMFNSKAQCAM-UHFFFAOYSA-N
XLogP4.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyclopropylphenoxy)-5-fluoropyridine-3-carboxamide
CID 146305985
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599
4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
CID 146305775
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
CID 141112093
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
CID 150923849
6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
CID 146325617
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid (CID 135313098) is 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cnc(Oc2ccc(C3CCCCC3)cc2)c(F)c1.
What is the InChIKey of 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is ZUVQMFNSKAQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-10-14(18(21)22)11-20-17(16)23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22).
What are the key properties of 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid?
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid has a molecular weight of 315.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 135313098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).