4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one

C10H5Cl2N5O — CID 172555211

IUPAC4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one
SMILES[N-]=[N+]=Nc1ccc(Cl)cc1-c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H5Cl2N5O/c11-5-1-2-8(15-17-13)6(3-5)7-4-14-16-10(18)9(7)12/h1-4H,(H,16,18)
InChIKeyHSZLWSRHRDSLPL-UHFFFAOYSA-N
MW282.09 g/mol
LogP3.69
Rot. Bonds2

About 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one

4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one (PubChem CID 172555211) has the molecular formula C10H5Cl2N5O and a molecular weight of 282.09 g/mol. Its IUPAC name is 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one
PubChem CID172555211
Molecular FormulaC10H5Cl2N5O
Molecular Weight282.09 g/mol
Exact Mass280.99
IUPAC Name4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one
SMILES[N-]=[N+]=Nc1ccc(Cl)cc1-c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H5Cl2N5O/c11-5-1-2-8(15-17-13)6(3-5)7-4-14-16-10(18)9(7)12/h1-4H,(H,16,18)
InChIKeyHSZLWSRHRDSLPL-UHFFFAOYSA-N
XLogP3.69
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one (CID 172555211) is 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one is [N-]=[N+]=Nc1ccc(Cl)cc1-c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one?
The InChIKey is HSZLWSRHRDSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5O/c11-5-1-2-8(15-17-13)6(3-5)7-4-14-16-10(18)9(7)12/h1-4H,(H,16,18).
What are the key properties of 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one?
4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one has a molecular weight of 282.09 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-5-chlorophenyl)-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 172555211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).