3-chloro-6-(3-nitrophenoxy)pyridazine

C10H6ClN3O3 — CID 6400989

IUPAC3-chloro-6-(3-nitrophenoxy)pyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H6ClN3O3/c11-9-4-5-10(13-12-9)17-8-3-1-2-7(6-8)14(15)16/h1-6H
InChIKeyKWZUJKBPPYCPIV-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-6-(3-nitrophenoxy)pyridazine

3-chloro-6-(3-nitrophenoxy)pyridazine (PubChem CID 6400989) has the molecular formula C10H6ClN3O3 and a molecular weight of 251.63 g/mol. Its IUPAC name is 3-chloro-6-(3-nitrophenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-nitrophenoxy)pyridazine
PubChem CID6400989
Molecular FormulaC10H6ClN3O3
Molecular Weight251.63 g/mol
Exact Mass251.01
IUPAC Name3-chloro-6-(3-nitrophenoxy)pyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H6ClN3O3/c11-9-4-5-10(13-12-9)17-8-3-1-2-7(6-8)14(15)16/h1-6H
InChIKeyKWZUJKBPPYCPIV-UHFFFAOYSA-N
XLogP2.83
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
4-chloro-2-methylsulfanyl-6-(3-nitrophenoxy)pyrimidine
CID 113221050
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine
CID 19095563
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-nitrophenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(3-nitrophenoxy)pyridazine (CID 6400989) is 3-chloro-6-(3-nitrophenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(3-nitrophenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(3-nitrophenoxy)pyridazine is O=[N+]([O-])c1cccc(Oc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-(3-nitrophenoxy)pyridazine?
The InChIKey is KWZUJKBPPYCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3/c11-9-4-5-10(13-12-9)17-8-3-1-2-7(6-8)14(15)16/h1-6H.
What are the key properties of 3-chloro-6-(3-nitrophenoxy)pyridazine?
3-chloro-6-(3-nitrophenoxy)pyridazine has a molecular weight of 251.63 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-nitrophenoxy)pyridazine is sourced from PubChem (CID 6400989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).