3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine

C9H5ClN4O3 — CID 59849927

IUPAC3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Oc1cccnn1
InChIInChI=1S/C9H5ClN4O3/c10-6-4-7(14(15)16)9(11-5-6)17-8-2-1-3-12-13-8/h1-5H
InChIKeyLGNZSXSPOWUTOA-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.23
Rot. Bonds3

About 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine

3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine (PubChem CID 59849927) has the molecular formula C9H5ClN4O3 and a molecular weight of 252.62 g/mol. Its IUPAC name is 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine.

Molecular Properties

Compound Name3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
PubChem CID59849927
Molecular FormulaC9H5ClN4O3
Molecular Weight252.62 g/mol
Exact Mass252.01
IUPAC Name3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Oc1cccnn1
InChIInChI=1S/C9H5ClN4O3/c10-6-4-7(14(15)16)9(11-5-6)17-8-2-1-3-12-13-8/h1-5H
InChIKeyLGNZSXSPOWUTOA-UHFFFAOYSA-N
XLogP2.23
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
CID 71190455
methyl 2-[(5-chloro-3-nitro-2-pyridinyl)oxy]-6-fluorobenzoate
CID 59849929
5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
CID 142523619
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
3-(4-chlorophenoxy)pyridazine
CID 54052757
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine?
The IUPAC name of 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine (CID 59849927) is 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine.
What is the SMILES notation for 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine?
The canonical SMILES for 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine is O=[N+]([O-])c1cc(Cl)cnc1Oc1cccnn1.
What is the InChIKey of 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine?
The InChIKey is LGNZSXSPOWUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O3/c10-6-4-7(14(15)16)9(11-5-6)17-8-2-1-3-12-13-8/h1-5H.
What are the key properties of 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine?
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine has a molecular weight of 252.62 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine is sourced from PubChem (CID 59849927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).