2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one

C17H13ClN2O — CID 166336869

IUPAC2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-16-9-5-4-8-14(16)12-20-17(21)10-15(11-19-20)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyZGGPQWWYHHICOX-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.61
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one

2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one (PubChem CID 166336869) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
PubChem CID166336869
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-16-9-5-4-8-14(16)12-20-17(21)10-15(11-19-20)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyZGGPQWWYHHICOX-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-phenylpyridazin-3-one
CID 71418083
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-4-carbaldehyde
CID 63279091
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828
5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
CID 107313014
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one
CID 166336910
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one (CID 166336869) is 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one is O=c1cc(-c2ccccc2)cnn1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one?
The InChIKey is ZGGPQWWYHHICOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-16-9-5-4-8-14(16)12-20-17(21)10-15(11-19-20)13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one?
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one has a molecular weight of 296.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one is sourced from PubChem (CID 166336869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).