1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone

C13H9Cl2NO — CID 123344336

IUPAC1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(Cl)c(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C13H9Cl2NO/c1-8(17)11-7-10(14)12(15)13(16-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIJELBUJXMHBJAV-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.26
Rot. Bonds2

About 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone

1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone (PubChem CID 123344336) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone
PubChem CID123344336
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(Cl)c(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C13H9Cl2NO/c1-8(17)11-7-10(14)12(15)13(16-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIJELBUJXMHBJAV-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

1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone
CID 144561635
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
CID 82220105
5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116
1-azulen-2-ylethanone
CID 15255141
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
(5,6-dichloro-3-methyl-2-phenylquinolin-4-yl) hydrogen carbonate
CID 118948132

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone (CID 123344336) is 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone is CC(=O)c1cc(Cl)c(Cl)c(-c2ccccc2)n1.
What is the InChIKey of 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone?
The InChIKey is IJELBUJXMHBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c1-8(17)11-7-10(14)12(15)13(16-11)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone?
1-(4,5-dichloro-6-phenyl-2-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-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone is sourced from PubChem (CID 123344336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).