6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid

C21H21N3O3 — CID 15537344

IUPAC6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H21N3O3/c25-21(26)10-2-1-7-13-27-16-14-19(17-8-3-5-11-22-17)24-20(15-16)18-9-4-6-12-23-18/h3-6,8-9,11-12,14-15H,1-2,7,10,13H2,(H,25,26)
InChIKeySWUABMPHXQCDEO-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.23
Rot. Bonds9

About 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid

6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid (PubChem CID 15537344) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid.

Molecular Properties

Compound Name6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid
PubChem CID15537344
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H21N3O3/c25-21(26)10-2-1-7-13-27-16-14-19(17-8-3-5-11-22-17)24-20(15-16)18-9-4-6-12-23-18/h3-6,8-9,11-12,14-15H,1-2,7,10,13H2,(H,25,26)
InChIKeySWUABMPHXQCDEO-UHFFFAOYSA-N
XLogP4.23
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid?
The IUPAC name of 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid (CID 15537344) is 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid.
What is the SMILES notation for 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid?
The canonical SMILES for 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid?
The InChIKey is SWUABMPHXQCDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(26)10-2-1-7-13-27-16-14-19(17-8-3-5-11-22-17)24-20(15-16)18-9-4-6-12-23-18/h3-6,8-9,11-12,14-15H,1-2,7,10,13H2,(H,25,26).
What are the key properties of 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid?
6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid has a molecular weight of 363.42 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexanoic acid is sourced from PubChem (CID 15537344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).