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

C12H9ClN2O2 — CID 83120272

IUPAC1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cncc(Cl)c2)cn1
InChIInChI=1S/C12H9ClN2O2/c1-8(16)12-3-2-10(7-15-12)17-11-4-9(13)5-14-6-11/h2-7H,1H3
InChIKeyIOKKKTNHVNXPMU-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.12
Rot. Bonds3

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

1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone (PubChem CID 83120272) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
PubChem CID83120272
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cncc(Cl)c2)cn1
InChIInChI=1S/C12H9ClN2O2/c1-8(16)12-3-2-10(7-15-12)17-11-4-9(13)5-14-6-11/h2-7H,1H3
InChIKeyIOKKKTNHVNXPMU-UHFFFAOYSA-N
XLogP3.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
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
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone (CID 83120272) is 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cncc(Cl)c2)cn1.
What is the InChIKey of 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
The InChIKey is IOKKKTNHVNXPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-8(16)12-3-2-10(7-15-12)17-11-4-9(13)5-14-6-11/h2-7H,1H3.
What are the key properties of 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone?
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone has a molecular weight of 248.67 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 83120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).