4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one

C12H10Cl2N2O3 — CID 71066347

IUPAC4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)c(OCCO)nn1-c1ccccc1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-10(14)12(18)16(8-4-2-1-3-5-8)15-11(9)19-7-6-17/h1-5,17H,6-7H2
InChIKeyPHIFFTCHTUPHKS-UHFFFAOYSA-N
MW301.13 g/mol
LogP1.91
Rot. Bonds4

About 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one

4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one (PubChem CID 71066347) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one
PubChem CID71066347
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)c(OCCO)nn1-c1ccccc1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-10(14)12(18)16(8-4-2-1-3-5-8)15-11(9)19-7-6-17/h1-5,17H,6-7H2
InChIKeyPHIFFTCHTUPHKS-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one (CID 71066347) is 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one is O=c1c(Cl)c(Cl)c(OCCO)nn1-c1ccccc1.
What is the InChIKey of 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one?
The InChIKey is PHIFFTCHTUPHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-9-10(14)12(18)16(8-4-2-1-3-5-8)15-11(9)19-7-6-17/h1-5,17H,6-7H2.
What are the key properties of 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one?
4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one has a molecular weight of 301.13 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(2-hydroxyethoxy)-2-phenylpyridazin-3-one is sourced from PubChem (CID 71066347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).