3-chloroindeno[1,2-c]pyridazin-5-one

C11H5ClN2O — CID 6410617

IUPAC3-chloroindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(Cl)cc21
InChIInChI=1S/C11H5ClN2O/c12-9-5-8-10(14-13-9)6-3-1-2-4-7(6)11(8)15/h1-5H
InChIKeyKCYFISVHLKCHRM-UHFFFAOYSA-N
MW216.63 g/mol
LogP2.34
Rot. Bonds

About 3-chloroindeno[1,2-c]pyridazin-5-one

3-chloroindeno[1,2-c]pyridazin-5-one (PubChem CID 6410617) has the molecular formula C11H5ClN2O and a molecular weight of 216.63 g/mol. Its IUPAC name is 3-chloroindeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-chloroindeno[1,2-c]pyridazin-5-one
PubChem CID6410617
Molecular FormulaC11H5ClN2O
Molecular Weight216.63 g/mol
Exact Mass216.01
IUPAC Name3-chloroindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(Cl)cc21
InChIInChI=1S/C11H5ClN2O/c12-9-5-8-10(14-13-9)6-3-1-2-4-7(6)11(8)15/h1-5H
InChIKeyKCYFISVHLKCHRM-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloroindeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-chloroindeno[1,2-c]pyridazin-5-one (CID 6410617) is 3-chloroindeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-chloroindeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-chloroindeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(Cl)cc21.
What is the InChIKey of 3-chloroindeno[1,2-c]pyridazin-5-one?
The InChIKey is KCYFISVHLKCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O/c12-9-5-8-10(14-13-9)6-3-1-2-4-7(6)11(8)15/h1-5H.
What are the key properties of 3-chloroindeno[1,2-c]pyridazin-5-one?
3-chloroindeno[1,2-c]pyridazin-5-one has a molecular weight of 216.63 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroindeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 6410617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).