4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one

C9H10Cl2N2O2 — CID 97110887

IUPAC4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@H]1CCCCO1
InChIInChI=1S/C9H10Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2/t7-/m1/s1
InChIKeyOEDZWNISULPNLA-SSDOTTSWSA-N
MW249.10 g/mol
LogP2.25
Rot. Bonds1

About 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one

4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one (PubChem CID 97110887) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
PubChem CID97110887
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@H]1CCCCO1
InChIInChI=1S/C9H10Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2/t7-/m1/s1
InChIKeyOEDZWNISULPNLA-SSDOTTSWSA-N
XLogP2.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
CID 138472198
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
CID 169209858
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one
CID 11357832
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
5-[(3R)-3-[(4-bromo-5-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-chloro-2-(oxan-2-yl)pyridazin-3-one
CID 164761669

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one (CID 97110887) is 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1[C@H]1CCCCO1.
What is the InChIKey of 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one?
The InChIKey is OEDZWNISULPNLA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2/t7-/m1/s1.
What are the key properties of 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one?
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one has a molecular weight of 249.10 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one is sourced from PubChem (CID 97110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).