4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one

C10H5Cl3N2O — CID 174358567

IUPAC4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cn[nH]1
InChIInChI=1S/C10H5Cl3N2O/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16)
InChIKeyIBCVDLNKPUXLMN-UHFFFAOYSA-N
MW275.52 g/mol
LogP3.40
Rot. Bonds1

About 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one

4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one (PubChem CID 174358567) has the molecular formula C10H5Cl3N2O and a molecular weight of 275.52 g/mol. Its IUPAC name is 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
PubChem CID174358567
Molecular FormulaC10H5Cl3N2O
Molecular Weight275.52 g/mol
Exact Mass273.95
IUPAC Name4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cn[nH]1
InChIInChI=1S/C10H5Cl3N2O/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16)
InChIKeyIBCVDLNKPUXLMN-UHFFFAOYSA-N
XLogP3.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dichlorophenyl)-1H-pyridazin-6-one
CID 106516327
4-(2-hydroxyphenyl)-1H-pyridazin-6-one
CID 56927406
4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092429
3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
CID 119017203
[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
CID 106522385
4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
CID 106517997
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
5-(2,3,4-trichlorophenyl)-1H-imidazole
CID 22367963
4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
CID 154869277

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one (CID 174358567) is 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one is O=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cn[nH]1.
What is the InChIKey of 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one?
The InChIKey is IBCVDLNKPUXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16).
What are the key properties of 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one?
4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one has a molecular weight of 275.52 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 174358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).