6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one

C9H9BrCl2N2O2 — CID 169209858

IUPAC6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)c(Br)nn1C1CCCCO1
InChIInChI=1S/C9H9BrCl2N2O2/c10-8-6(11)7(12)9(15)14(13-8)5-3-1-2-4-16-5/h5H,1-4H2
InChIKeyHWJDERYXBIOXNS-UHFFFAOYSA-N
MW327.99 g/mol
LogP3.01
Rot. Bonds1

About 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one

6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 169209858) has the molecular formula C9H9BrCl2N2O2 and a molecular weight of 327.99 g/mol. Its IUPAC name is 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
PubChem CID169209858
Molecular FormulaC9H9BrCl2N2O2
Molecular Weight327.99 g/mol
Exact Mass325.92
IUPAC Name6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)c(Br)nn1C1CCCCO1
InChIInChI=1S/C9H9BrCl2N2O2/c10-8-6(11)7(12)9(15)14(13-8)5-3-1-2-4-16-5/h5H,1-4H2
InChIKeyHWJDERYXBIOXNS-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.99
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 68988720
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
4,5-dibromo-2-(oxan-2-yl)triazole
CID 172993131
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-6-chloro-4-methoxy-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
CID 154934514
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
CID 138472198
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
7-bromo-4-chloro-1-(oxan-2-yl)benzotriazole
CID 178126500

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one (CID 169209858) is 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(Cl)c(Br)nn1C1CCCCO1.
What is the InChIKey of 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is HWJDERYXBIOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O2/c10-8-6(11)7(12)9(15)14(13-8)5-3-1-2-4-16-5/h5H,1-4H2.
What are the key properties of 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one?
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 327.99 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 169209858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).