2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine

C22H32N2O2 — CID 11810431

IUPAC2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine
SMILESCCCCCCOc1cccc(-c2cccc(OCCCCCC)n2)n1
InChIInChI=1S/C22H32N2O2/c1-3-5-7-9-17-25-21-15-11-13-19(23-21)20-14-12-16-22(24-20)26-18-10-8-6-4-2/h11-16H,3-10,17-18H2,1-2H3
InChIKeyHKLDLXAOOYDGBI-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.06
Rot. Bonds13

About 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine

2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine (PubChem CID 11810431) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine
PubChem CID11810431
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine
SMILESCCCCCCOc1cccc(-c2cccc(OCCCCCC)n2)n1
InChIInChI=1S/C22H32N2O2/c1-3-5-7-9-17-25-21-15-11-13-19(23-21)20-14-12-16-22(24-20)26-18-10-8-6-4-2/h11-16H,3-10,17-18H2,1-2H3
InChIKeyHKLDLXAOOYDGBI-UHFFFAOYSA-N
XLogP6.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine?
The IUPAC name of 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine (CID 11810431) is 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine.
What is the SMILES notation for 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine?
The canonical SMILES for 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine is CCCCCCOc1cccc(-c2cccc(OCCCCCC)n2)n1.
What is the InChIKey of 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine?
The InChIKey is HKLDLXAOOYDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-5-7-9-17-25-21-15-11-13-19(23-21)20-14-12-16-22(24-20)26-18-10-8-6-4-2/h11-16H,3-10,17-18H2,1-2H3.
What are the key properties of 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine?
2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine has a molecular weight of 356.51 g/mol, XLogP of 6.06, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-6-(6-hexoxy-2-pyridinyl)pyridine is sourced from PubChem (CID 11810431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).