1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone

C13H10ClNO2 — CID 55130531

IUPAC1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3
InChIKeyGJBXNAJSKZZNHB-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone

1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone (PubChem CID 55130531) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
PubChem CID55130531
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3
InChIKeyGJBXNAJSKZZNHB-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
1-[3-chloro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 62907691
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133493825
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
1-[3-chloro-4-(8-nitroisoquinolin-5-yl)oxyphenyl]ethanone
CID 133490831
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone (CID 55130531) is 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2cccnc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone?
The InChIKey is GJBXNAJSKZZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3.
What are the key properties of 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone?
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 247.68 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 55130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).