4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid

C8H9ClN2O4 — CID 171878727

IUPAC4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN2O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H,13,14)
InChIKeyWAGWBPIVUCCVBW-UHFFFAOYSA-N
MW232.62 g/mol
LogP-0.00
Rot. Bonds4

About 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid

4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid (PubChem CID 171878727) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid
PubChem CID171878727
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN2O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H,13,14)
InChIKeyWAGWBPIVUCCVBW-UHFFFAOYSA-N
XLogP-0.00
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid (CID 171878727) is 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The InChIKey is WAGWBPIVUCCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H,13,14).
What are the key properties of 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid?
4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid has a molecular weight of 232.62 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).