5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one

C8H9ClN2O2 — CID 117105684

IUPAC5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCCO2)cc1Cl
InChIInChI=1S/C8H9ClN2O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h4,7H,1-3H2,(H,11,12)
InChIKeyOFYSUENODHYTBO-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.27
Rot. Bonds1

About 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one

5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one (PubChem CID 117105684) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
PubChem CID117105684
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCCO2)cc1Cl
InChIInChI=1S/C8H9ClN2O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h4,7H,1-3H2,(H,11,12)
InChIKeyOFYSUENODHYTBO-UHFFFAOYSA-N
XLogP1.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
CID 117105191
2-(chloromethyl)-4-[(2S)-oxolan-2-yl]-1H-pyrimidin-6-one
CID 137119603
2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 137191445
4-(aminomethyl)-7-(oxolan-2-yl)-2H-phthalazin-1-one
CID 165123263
4-(aminomethyl)-7-[(2R)-oxolan-2-yl]-2H-phthalazin-1-one
CID 165123117
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
CID 102538380
4-chloro-6-(oxan-2-yl)pyrimidine
CID 172993090
4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
CID 162412127
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
5-(oxolan-2-yl)-1H-pyrazol-4-amine
CID 130577682
2,6-bis(oxolan-2-yl)pyridine-4-carbonitrile
CID 14024161
5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
CID 69085682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one (CID 117105684) is 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one is O=c1[nH]nc(C2CCCO2)cc1Cl.
What is the InChIKey of 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one?
The InChIKey is OFYSUENODHYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h4,7H,1-3H2,(H,11,12).
What are the key properties of 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one?
5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one has a molecular weight of 200.62 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).