5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid

C20H21F2NO3 — CID 121447254

IUPAC5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1
InChIInChI=1S/C20H21F2NO3/c21-20(22,13-3-8-19(24)25)15-11-9-14(10-12-15)17-6-2-7-18(23-17)26-16-4-1-5-16/h2,6-7,9-12,16H,1,3-5,8,13H2,(H,24,25)
InChIKeyOMTZBXRQMQVMOH-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.03
Rot. Bonds8

About 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid

5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid (PubChem CID 121447254) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid
PubChem CID121447254
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1
InChIInChI=1S/C20H21F2NO3/c21-20(22,13-3-8-19(24)25)15-11-9-14(10-12-15)17-6-2-7-18(23-17)26-16-4-1-5-16/h2,6-7,9-12,16H,1,3-5,8,13H2,(H,24,25)
InChIKeyOMTZBXRQMQVMOH-UHFFFAOYSA-N
XLogP5.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Picoxystrobin
CID 11285653
Metabolite 4 of Picoxystrobin
CID 14255373
Picoxystrobin metabolite M8
CID 138394697
Picoxystrobin metabolite 12
CID 138394699
Picoxystrobin metabolite 2
CID 139597010
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
6-[(4-Phenyl-2-quinolyl)oxy]hexanoic acid
CID 10019853
6-{[4-(4-Aminophenyl)-6-phenyl-2-pyridyl]oxy}hexanoic acid
CID 10022413
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[4-(4-Dimethylamino-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10024190
6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10046878

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid?
The IUPAC name of 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid (CID 121447254) is 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid.
What is the SMILES notation for 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid?
The canonical SMILES for 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid is O=C(O)CCCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1.
What is the InChIKey of 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid?
The InChIKey is OMTZBXRQMQVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c21-20(22,13-3-8-19(24)25)15-11-9-14(10-12-15)17-6-2-7-18(23-17)26-16-4-1-5-16/h2,6-7,9-12,16H,1,3-5,8,13H2,(H,24,25).
What are the key properties of 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid?
5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid has a molecular weight of 361.39 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-5,5-difluoropentanoic acid is sourced from PubChem (CID 121447254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).