oxolan-3-yl 6-chloropyridazine-3-carboxylate

C9H9ClN2O3 — CID 63839685

IUPACoxolan-3-yl 6-chloropyridazine-3-carboxylate
SMILESO=C(OC1CCOC1)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN2O3/c10-8-2-1-7(11-12-8)9(13)15-6-3-4-14-5-6/h1-2,6H,3-5H2
InChIKeyJUFFQNAYTROVLE-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.08
Rot. Bonds2

About oxolan-3-yl 6-chloropyridazine-3-carboxylate

oxolan-3-yl 6-chloropyridazine-3-carboxylate (PubChem CID 63839685) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is oxolan-3-yl 6-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 6-chloropyridazine-3-carboxylate
PubChem CID63839685
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Nameoxolan-3-yl 6-chloropyridazine-3-carboxylate
SMILESO=C(OC1CCOC1)c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN2O3/c10-8-2-1-7(11-12-8)9(13)15-6-3-4-14-5-6/h1-2,6H,3-5H2
InChIKeyJUFFQNAYTROVLE-UHFFFAOYSA-N
XLogP1.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 6-chloropyridazine-3-carboxylate?
The IUPAC name of oxolan-3-yl 6-chloropyridazine-3-carboxylate (CID 63839685) is oxolan-3-yl 6-chloropyridazine-3-carboxylate.
What is the SMILES notation for oxolan-3-yl 6-chloropyridazine-3-carboxylate?
The canonical SMILES for oxolan-3-yl 6-chloropyridazine-3-carboxylate is O=C(OC1CCOC1)c1ccc(Cl)nn1.
What is the InChIKey of oxolan-3-yl 6-chloropyridazine-3-carboxylate?
The InChIKey is JUFFQNAYTROVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-8-2-1-7(11-12-8)9(13)15-6-3-4-14-5-6/h1-2,6H,3-5H2.
What are the key properties of oxolan-3-yl 6-chloropyridazine-3-carboxylate?
oxolan-3-yl 6-chloropyridazine-3-carboxylate has a molecular weight of 228.63 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 6-chloropyridazine-3-carboxylate is sourced from PubChem (CID 63839685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).