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

C20H21F2NO3 — CID 121446989

IUPAC5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-16-11-13(12-17(22)15(16)7-1-2-10-20(24)25)18-8-4-9-19(23-18)26-14-5-3-6-14/h4,8-9,11-12,14H,1-3,5-7,10H2,(H,24,25)
InChIKeyCMNYHBSDBXBVRK-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.76
Rot. Bonds8

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

5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid (PubChem CID 121446989) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
PubChem CID121446989
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-16-11-13(12-17(22)15(16)7-1-2-10-20(24)25)18-8-4-9-19(23-18)26-14-5-3-6-14/h4,8-9,11-12,14H,1-3,5-7,10H2,(H,24,25)
InChIKeyCMNYHBSDBXBVRK-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid (CID 121446989) is 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid is O=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F.
What is the InChIKey of 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The InChIKey is CMNYHBSDBXBVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c21-16-11-13(12-17(22)15(16)7-1-2-10-20(24)25)18-8-4-9-19(23-18)26-14-5-3-6-14/h4,8-9,11-12,14H,1-3,5-7,10H2,(H,24,25).
What are the key properties of 5-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
5-[4-(6-cyclobutyloxy-2-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-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid is sourced from PubChem (CID 121446989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).