1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione

C19H14N2O4 — CID 67475111

IUPAC1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
SMILESCC(=O)C(=O)c1cccc(Oc2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C19H14N2O4/c1-13(22)19(23)16-8-5-10-18(21-16)25-15-7-4-6-14(12-15)24-17-9-2-3-11-20-17/h2-12H,1H3
InChIKeyDCJIHNWKMNLYBU-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.83
Rot. Bonds6

About 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione

1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione (PubChem CID 67475111) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione.

Molecular Properties

Compound Name1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
PubChem CID67475111
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
SMILESCC(=O)C(=O)c1cccc(Oc2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C19H14N2O4/c1-13(22)19(23)16-8-5-10-18(21-16)25-15-7-4-6-14(12-15)24-17-9-2-3-11-20-17/h2-12H,1H3
InChIKeyDCJIHNWKMNLYBU-UHFFFAOYSA-N
XLogP3.83
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
CID 54342882
platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
CID 58709124
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
ethane;2-phenoxypyridine
CID 90835857
2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
CID 140597832
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-ethyl-N-phenyl-3-pyridin-2-yloxybenzamide
CID 90596664
2-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]-1H-indole
CID 58709121

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione?
The IUPAC name of 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione (CID 67475111) is 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione.
What is the SMILES notation for 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione?
The canonical SMILES for 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione is CC(=O)C(=O)c1cccc(Oc2cccc(Oc3ccccn3)c2)n1.
What is the InChIKey of 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione?
The InChIKey is DCJIHNWKMNLYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-13(22)19(23)16-8-5-10-18(21-16)25-15-7-4-6-14(12-15)24-17-9-2-3-11-20-17/h2-12H,1H3.
What are the key properties of 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione?
1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione has a molecular weight of 334.33 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione is sourced from PubChem (CID 67475111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).