tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate

C13H18ClN3O3 — CID 71629716

IUPACtert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nn2)C1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-7-6-9(8-17)19-11-5-4-10(14)15-16-11/h4-5,9H,6-8H2,1-3H3
InChIKeyOBXUCECSYHIIQV-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate

tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate (PubChem CID 71629716) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
PubChem CID71629716
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Nametert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nn2)C1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-7-6-9(8-17)19-11-5-4-10(14)15-16-11/h4-5,9H,6-8H2,1-3H3
InChIKeyOBXUCECSYHIIQV-UHFFFAOYSA-N
XLogP2.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl 3-(6-chloropyridazin-3-yl)sulfanylpyrrolidine-1-carboxylate
CID 71302775
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
tert-butyl (3R)-3-[(R)-(6-chloropyridazin-3-yl)sulfinyl]pyrrolidine-1-carboxylate
CID 97171022
tert-butyl 3-(6-chloropyridazin-3-yl)oxy-7-fluoro-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 162372725
tert-butyl (3S)-3-(6-chloropyrido[3,2-d]pyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 141379326
tert-butyl (3S)-3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 59507999
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate (CID 71629716) is tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nn2)C1.
What is the InChIKey of tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate?
The InChIKey is OBXUCECSYHIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-7-6-9(8-17)19-11-5-4-10(14)15-16-11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate?
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate has a molecular weight of 299.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 71629716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).