1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone

C12H7Cl2FN2O — CID 86235969

IUPAC1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)nn1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-10-5-7(15)1-3-9(10)11(18)6-8-2-4-12(14)17-16-8/h1-5H,6H2
InChIKeyPRZLIZRIGVVQHH-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone

1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone (PubChem CID 86235969) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone
PubChem CID86235969
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)nn1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O/c13-10-5-7(15)1-3-9(10)11(18)6-8-2-4-12(14)17-16-8/h1-5H,6H2
InChIKeyPRZLIZRIGVVQHH-UHFFFAOYSA-N
XLogP3.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone (CID 86235969) is 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone is O=C(Cc1ccc(Cl)nn1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone?
The InChIKey is PRZLIZRIGVVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-10-5-7(15)1-3-9(10)11(18)6-8-2-4-12(14)17-16-8/h1-5H,6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone?
1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone has a molecular weight of 285.11 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(6-chloropyridazin-3-yl)ethanone is sourced from PubChem (CID 86235969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).