4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid

C19H19ClFNO4 — CID 121447330

IUPAC4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
SMILESO=C(O)CCCOc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1Cl
InChIInChI=1S/C19H19ClFNO4/c20-14-10-12(11-15(21)19(14)25-9-3-8-18(23)24)16-6-2-7-17(22-16)26-13-4-1-5-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,23,24)
InChIKeyFZOATLTZUQOZSJ-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.72
Rot. Bonds8

About 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid

4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid (PubChem CID 121447330) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
PubChem CID121447330
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Name4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
SMILESO=C(O)CCCOc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1Cl
InChIInChI=1S/C19H19ClFNO4/c20-14-10-12(11-15(21)19(14)25-9-3-8-18(23)24)16-6-2-7-17(22-16)26-13-4-1-5-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,23,24)
InChIKeyFZOATLTZUQOZSJ-UHFFFAOYSA-N
XLogP4.72
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10047140
3-[(2R)-6-(6-cyclobutyloxy-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
CID 134148110
4-[2-Chloro-4-(4-cyclobutyloxy-6-methylpyrimidin-2-yl)-6-fluorophenoxy]butanoic acid
CID 121446813
4-[4-[6-(Cyclobutylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]butanoic acid
CID 121447074
4-[4-(6-Chloro-4-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenoxy]butanoic acid
CID 121447182
4-[2-Chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluorophenoxy]butanoic acid
CID 121447187
4-[2-Chloro-4-(6-cyclopentyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
CID 121447192
5-[4-(5-Chloro-6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]hexanoic acid
CID 121447195
4-[4-(6-Cyclobutyloxy-4-methyl-2-pyridinyl)-2,6-difluorophenoxy]butanoic acid
CID 121447287
4-[2-Chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid
CID 121447327
4-[2-Chloro-4-[6-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]-6-fluorophenoxy]butanoic acid
CID 121447348
4-[2-Chloro-4-(6-cyclobutyloxy-4-methyl-2-pyridinyl)-6-fluorophenoxy]butanoic acid
CID 121447350

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid?
The IUPAC name of 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid (CID 121447330) is 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid.
What is the SMILES notation for 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid?
The canonical SMILES for 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid is O=C(O)CCCOc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid?
The InChIKey is FZOATLTZUQOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c20-14-10-12(11-15(21)19(14)25-9-3-8-18(23)24)16-6-2-7-17(22-16)26-13-4-1-5-13/h2,6-7,10-11,13H,1,3-5,8-9H2,(H,23,24).
What are the key properties of 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid?
4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid has a molecular weight of 379.82 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid is sourced from PubChem (CID 121447330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).