4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one

C12H9ClN2O — CID 102397728

IUPAC4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(/C=C\Cl)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H9ClN2O/c13-7-6-10-8-11(16)14-15-12(10)9-4-2-1-3-5-9/h1-8H,(H,14,16)/b7-6-
InChIKeyLJTNJKHKVBLLHB-SREVYHEPSA-N
MW232.67 g/mol
LogP2.65
Rot. Bonds2

About 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one

4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 102397728) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID102397728
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(/C=C\Cl)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H9ClN2O/c13-7-6-10-8-11(16)14-15-12(10)9-4-2-1-3-5-9/h1-8H,(H,14,16)/b7-6-
InChIKeyLJTNJKHKVBLLHB-SREVYHEPSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one (CID 102397728) is 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one is O=c1cc(/C=C\Cl)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is LJTNJKHKVBLLHB-SREVYHEPSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-7-6-10-8-11(16)14-15-12(10)9-4-2-1-3-5-9/h1-8H,(H,14,16)/b7-6-.
What are the key properties of 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one?
4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 232.67 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 102397728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).