4-chloro-2-phenacylpyridazin-3-one

C12H9ClN2O2 — CID 150825470

IUPAC4-chloro-2-phenacylpyridazin-3-one
SMILESO=C(Cn1nccc(Cl)c1=O)c1ccccc1
InChIInChI=1S/C12H9ClN2O2/c13-10-6-7-14-15(12(10)17)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyKKVGZUARYVXNQX-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.78
Rot. Bonds3

About 4-chloro-2-phenacylpyridazin-3-one

4-chloro-2-phenacylpyridazin-3-one (PubChem CID 150825470) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-2-phenacylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenacylpyridazin-3-one
PubChem CID150825470
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-chloro-2-phenacylpyridazin-3-one
SMILESO=C(Cn1nccc(Cl)c1=O)c1ccccc1
InChIInChI=1S/C12H9ClN2O2/c13-10-6-7-14-15(12(10)17)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyKKVGZUARYVXNQX-UHFFFAOYSA-N
XLogP1.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenacylpyridazin-3-one?
The IUPAC name of 4-chloro-2-phenacylpyridazin-3-one (CID 150825470) is 4-chloro-2-phenacylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenacylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenacylpyridazin-3-one is O=C(Cn1nccc(Cl)c1=O)c1ccccc1.
What is the InChIKey of 4-chloro-2-phenacylpyridazin-3-one?
The InChIKey is KKVGZUARYVXNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-10-6-7-14-15(12(10)17)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 4-chloro-2-phenacylpyridazin-3-one?
4-chloro-2-phenacylpyridazin-3-one has a molecular weight of 248.67 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenacylpyridazin-3-one is sourced from PubChem (CID 150825470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).