6-chloro-2-phenylpyridazin-3-one

C10H7ClN2O — CID 561639

IUPAC6-chloro-2-phenylpyridazin-3-one
SMILESO=c1ccc(Cl)nn1-c1ccccc1
InChIInChI=1S/C10H7ClN2O/c11-9-6-7-10(14)13(12-9)8-4-2-1-3-5-8/h1-7H
InChIKeyGQMSKWMZVCPIRM-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.89
Rot. Bonds1

About 6-chloro-2-phenylpyridazin-3-one

6-chloro-2-phenylpyridazin-3-one (PubChem CID 561639) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-phenylpyridazin-3-one
PubChem CID561639
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name6-chloro-2-phenylpyridazin-3-one
SMILESO=c1ccc(Cl)nn1-c1ccccc1
InChIInChI=1S/C10H7ClN2O/c11-9-6-7-10(14)13(12-9)8-4-2-1-3-5-8/h1-7H
InChIKeyGQMSKWMZVCPIRM-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 6-chloro-2-phenylpyridazin-3-one (CID 561639) is 6-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 6-chloro-2-phenylpyridazin-3-one is O=c1ccc(Cl)nn1-c1ccccc1.
What is the InChIKey of 6-chloro-2-phenylpyridazin-3-one?
The InChIKey is GQMSKWMZVCPIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-6-7-10(14)13(12-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 6-chloro-2-phenylpyridazin-3-one?
6-chloro-2-phenylpyridazin-3-one has a molecular weight of 206.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 561639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).