2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid

C8H10N2O5 — CID 170823662

IUPAC2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C8H10N2O5/c1-15-5-3-2-4(9-10-5)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyYKQYKLUBIFNLIT-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.04
Rot. Bonds4

About 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid

2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid (PubChem CID 170823662) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid
PubChem CID170823662
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C8H10N2O5/c1-15-5-3-2-4(9-10-5)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyYKQYKLUBIFNLIT-UHFFFAOYSA-N
XLogP-1.04
TPSA112.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid (CID 170823662) is 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid is COc1ccc(C(O)C(O)C(=O)O)nn1.
What is the InChIKey of 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid?
The InChIKey is YKQYKLUBIFNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-15-5-3-2-4(9-10-5)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid?
2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid is sourced from PubChem (CID 170823662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).