6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one

C9H5Cl2N3O — CID 139384119

IUPAC6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1-c1ccc(Cl)nc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-2-1-5(4-12-7)9-6(15)3-8(11)13-14-9/h1-4H,(H,13,15)
InChIKeyYSIKAKDVXOPEFG-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.14
Rot. Bonds1

About 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one

6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one (PubChem CID 139384119) has the molecular formula C9H5Cl2N3O and a molecular weight of 242.06 g/mol. Its IUPAC name is 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one
PubChem CID139384119
Molecular FormulaC9H5Cl2N3O
Molecular Weight242.06 g/mol
Exact Mass240.98
IUPAC Name6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1-c1ccc(Cl)nc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-2-1-5(4-12-7)9-6(15)3-8(11)13-14-9/h1-4H,(H,13,15)
InChIKeyYSIKAKDVXOPEFG-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one (CID 139384119) is 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one is O=c1cc(Cl)[nH]nc1-c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one?
The InChIKey is YSIKAKDVXOPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O/c10-7-2-1-5(4-12-7)9-6(15)3-8(11)13-14-9/h1-4H,(H,13,15).
What are the key properties of 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one?
6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one has a molecular weight of 242.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one is sourced from PubChem (CID 139384119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).