1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone

C13H9Cl2NO — CID 82540749

IUPAC1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO/c1-8(17)9-5-10(7-16-6-9)11-3-2-4-12(14)13(11)15/h2-7H,1H3
InChIKeyHZYCTMOILBPBLP-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.26
Rot. Bonds2

About 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone

1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone (PubChem CID 82540749) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
PubChem CID82540749
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO/c1-8(17)9-5-10(7-16-6-9)11-3-2-4-12(14)13(11)15/h2-7H,1H3
InChIKeyHZYCTMOILBPBLP-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethanone
CID 71011699
5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
CID 46032150
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
CID 174904130
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine
CID 46158172
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone (CID 82540749) is 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone is CC(=O)c1cncc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone?
The InChIKey is HZYCTMOILBPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c1-8(17)9-5-10(7-16-6-9)11-3-2-4-12(14)13(11)15/h2-7H,1H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone?
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone has a molecular weight of 266.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 82540749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).