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

C15H13Cl2NO3 — CID 66881198

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-4-3-9(5-15(14)21-2)13(19)6-10-11(16)7-18-8-12(10)17/h3-5,7-8H,6H2,1-2H3
InChIKeyCMTBUHVOEWKSIK-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.83
Rot. Bonds5

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

2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 66881198) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID66881198
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-4-3-9(5-15(14)21-2)13(19)6-10-11(16)7-18-8-12(10)17/h3-5,7-8H,6H2,1-2H3
InChIKeyCMTBUHVOEWKSIK-UHFFFAOYSA-N
XLogP3.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone (CID 66881198) is 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is CMTBUHVOEWKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-14-4-3-9(5-15(14)21-2)13(19)6-10-11(16)7-18-8-12(10)17/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 326.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 66881198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).