2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid

C6H5ClN2O3 — CID 88845185

IUPAC2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C6H5ClN2O3/c7-4-2-1-3(8-9-4)5(10)6(11)12/h1-2,5,10H,(H,11,12)
InChIKeyGUTRIICKXYJCPL-UHFFFAOYSA-N
MW188.57 g/mol
LogP0.25
Rot. Bonds2

About 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid

2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid (PubChem CID 88845185) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid
PubChem CID88845185
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C6H5ClN2O3/c7-4-2-1-3(8-9-4)5(10)6(11)12/h1-2,5,10H,(H,11,12)
InChIKeyGUTRIICKXYJCPL-UHFFFAOYSA-N
XLogP0.25
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Chloropyridazin-3-yl)-2-fluoroacetic acid
CID 123141184
(6-Chloropyridazin-3-yl)acetic acid
CID 72206943
2-Hydroxy-2-pyridazin-3-ylacetic acid
CID 154106731
1-(6-Chloropyridazin-3-yl)ethanol
CID 172106312
2-Hydroxy-2-(6-methylpyridazin-3-yl)acetic acid
CID 82413482
1-(6-Chloropyridazin-3-yl)propane-1,2,3-triol
CID 170818884
1-(6-Chloropyridazin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820928
3-(6-Chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
CID 170825008
3-Azido-1-(6-chloropyridazin-3-yl)propane-1,2-diol
CID 170827073
3-Amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol
CID 170829066
3-Bromo-1-(6-chloropyridazin-3-yl)propane-1,2-diol
CID 171861034
3-Chloro-1-(6-chloropyridazin-3-yl)propane-1,2-diol
CID 171863085

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid (CID 88845185) is 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid?
The InChIKey is GUTRIICKXYJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-4-2-1-3(8-9-4)5(10)6(11)12/h1-2,5,10H,(H,11,12).
What are the key properties of 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid?
2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid has a molecular weight of 188.57 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 88845185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).