3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H8Cl2N2O3 — CID 162095352

IUPAC3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2cc(Cl)c(O)c(Cl)c2O)=NN1
InChIInChI=1S/C10H8Cl2N2O3/c11-5-3-4(9(16)8(12)10(5)17)6-1-2-7(15)14-13-6/h3,16-17H,1-2H2,(H,14,15)
InChIKeyZEEDEPDDAPCXIK-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.02
Rot. Bonds1

About 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 162095352) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID162095352
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2cc(Cl)c(O)c(Cl)c2O)=NN1
InChIInChI=1S/C10H8Cl2N2O3/c11-5-3-4(9(16)8(12)10(5)17)6-1-2-7(15)14-13-6/h3,16-17H,1-2H2,(H,14,15)
InChIKeyZEEDEPDDAPCXIK-UHFFFAOYSA-N
XLogP2.02
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 162095352) is 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2cc(Cl)c(O)c(Cl)c2O)=NN1.
What is the InChIKey of 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ZEEDEPDDAPCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c11-5-3-4(9(16)8(12)10(5)17)6-1-2-7(15)14-13-6/h3,16-17H,1-2H2,(H,14,15).
What are the key properties of 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 275.09 g/mol, XLogP of 2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 162095352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).