5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid

C20H21F2NO3 — CID 121447335

IUPAC5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccnc2OC2CCC2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-17-11-13(12-18(22)16(17)7-1-2-9-19(24)25)15-8-4-10-23-20(15)26-14-5-3-6-14/h4,8,10-12,14H,1-3,5-7,9H2,(H,24,25)
InChIKeyCIQLTKNYEIPERZ-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.76
Rot. Bonds8

About 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid

5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid (PubChem CID 121447335) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid
PubChem CID121447335
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccnc2OC2CCC2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-17-11-13(12-18(22)16(17)7-1-2-9-19(24)25)15-8-4-10-23-20(15)26-14-5-3-6-14/h4,8,10-12,14H,1-3,5-7,9H2,(H,24,25)
InChIKeyCIQLTKNYEIPERZ-UHFFFAOYSA-N
XLogP4.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
CID 121447306
4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid
CID 121447444
4-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]methylamino]butanoic acid
CID 150786428
4-[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]butanoic acid
CID 86346184
4-[[4-(2-cyclopentyloxy-5-methyl-3-pyridinyl)-2,6-difluorophenyl]methylamino]butanoic acid
CID 150234427
5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
CID 121447078
4-[2,6-difluoro-4-(2-methoxy-3-pyridinyl)-N-methylanilino]butanoic acid
CID 121447068
4-[[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2,6-difluorophenyl]methylamino]butanoic acid
CID 151112410
4-[4-(2-cyclobutylsulfanyl-3-pyridinyl)-2,6-difluorophenyl]sulfanylbutanoic acid
CID 87055558
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
4-[[4-(2-cyclobutylsulfanyl-3-pyridinyl)-2-fluorophenyl]methylamino]butanoic acid
CID 151592596
4-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]cyclohexane-1-thiol
CID 137396174

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid (CID 121447335) is 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid is O=C(O)CCCCc1c(F)cc(-c2cccnc2OC2CCC2)cc1F.
What is the InChIKey of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The InChIKey is CIQLTKNYEIPERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c21-17-11-13(12-18(22)16(17)7-1-2-9-19(24)25)15-8-4-10-23-20(15)26-14-5-3-6-14/h4,8,10-12,14H,1-3,5-7,9H2,(H,24,25).
What are the key properties of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid has a molecular weight of 361.39 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid is sourced from PubChem (CID 121447335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).