1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone

C8H11Cl2NO2 — CID 130612875

IUPAC1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cl)=C(Cl)C1
InChIInChI=1S/C8H11Cl2NO2/c1-13-5-8(12)11-3-2-6(9)7(10)4-11/h2-5H2,1H3
InChIKeyOOQZVWBBWQRQKT-UHFFFAOYSA-N
MW224.09 g/mol
LogP1.55
Rot. Bonds2

About 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone

1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone (PubChem CID 130612875) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
PubChem CID130612875
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Name1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cl)=C(Cl)C1
InChIInChI=1S/C8H11Cl2NO2/c1-13-5-8(12)11-3-2-6(9)7(10)4-11/h2-5H2,1H3
InChIKeyOOQZVWBBWQRQKT-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone (CID 130612875) is 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone is COCC(=O)N1CCC(Cl)=C(Cl)C1.
What is the InChIKey of 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone?
The InChIKey is OOQZVWBBWQRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO2/c1-13-5-8(12)11-3-2-6(9)7(10)4-11/h2-5H2,1H3.
What are the key properties of 1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone?
1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone has a molecular weight of 224.09 g/mol, XLogP of 1.55, 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-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 130612875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).