2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone

C16H15Cl2NO4 — CID 22734050

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC
InChIInChI=1S/C16H15Cl2NO4/c1-21-14-5-4-9(15(22-2)16(14)23-3)13(20)6-10-11(17)7-19-8-12(10)18/h4-5,7-8H,6H2,1-3H3
InChIKeyMYTIOYQNHMMTNB-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.84
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 22734050) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID22734050
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC
InChIInChI=1S/C16H15Cl2NO4/c1-21-14-5-4-9(15(22-2)16(14)23-3)13(20)6-10-11(17)7-19-8-12(10)18/h4-5,7-8H,6H2,1-3H3
InChIKeyMYTIOYQNHMMTNB-UHFFFAOYSA-N
XLogP3.84
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone (CID 22734050) is 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is MYTIOYQNHMMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-21-14-5-4-9(15(22-2)16(14)23-3)13(20)6-10-11(17)7-19-8-12(10)18/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 356.21 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 22734050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).