1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone

C13H12N2O2 — CID 83119787

IUPAC1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)nc2)cn1
InChIInChI=1S/C13H12N2O2/c1-9-3-4-11(7-14-9)17-12-5-6-13(10(2)16)15-8-12/h3-8H,1-2H3
InChIKeyQHHPIXZJKWTTFK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.78
Rot. Bonds3

About 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone

1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone (PubChem CID 83119787) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
PubChem CID83119787
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)nc2)cn1
InChIInChI=1S/C13H12N2O2/c1-9-3-4-11(7-14-9)17-12-5-6-13(10(2)16)15-8-12/h3-8H,1-2H3
InChIKeyQHHPIXZJKWTTFK-UHFFFAOYSA-N
XLogP2.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
CID 83118898
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone
CID 144997194
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone (CID 83119787) is 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc(C)nc2)cn1.
What is the InChIKey of 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The InChIKey is QHHPIXZJKWTTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-3-4-11(7-14-9)17-12-5-6-13(10(2)16)15-8-12/h3-8H,1-2H3.
What are the key properties of 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone has a molecular weight of 228.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).