methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate

C8H9ClN2O4 — CID 171865103

IUPACmethyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN2O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3
InChIKeyDPZQTKPYKJFJLT-UHFFFAOYSA-N
MW232.62 g/mol
LogP-0.30
Rot. Bonds3

About methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate

methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate (PubChem CID 171865103) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
PubChem CID171865103
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Namemethyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN2O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3
InChIKeyDPZQTKPYKJFJLT-UHFFFAOYSA-N
XLogP-0.30
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate (CID 171865103) is methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is DPZQTKPYKJFJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3.
What are the key properties of methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate?
methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 232.62 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).