methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate

C9H12N2O4 — CID 171863528

IUPACmethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(C)nn1
InChIInChI=1S/C9H12N2O4/c1-5-3-4-6(11-10-5)7(12)8(13)9(14)15-2/h3-4,7-8,12-13H,1-2H3
InChIKeyFXKHMWOPGQZPQP-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.65
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate

methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate (PubChem CID 171863528) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
PubChem CID171863528
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(C)nn1
InChIInChI=1S/C9H12N2O4/c1-5-3-4-6(11-10-5)7(12)8(13)9(14)15-2/h3-4,7-8,12-13H,1-2H3
InChIKeyFXKHMWOPGQZPQP-UHFFFAOYSA-N
XLogP-0.65
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate (CID 171863528) is methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate is COC(=O)C(O)C(O)c1ccc(C)nn1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate?
The InChIKey is FXKHMWOPGQZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-3-4-6(11-10-5)7(12)8(13)9(14)15-2/h3-4,7-8,12-13H,1-2H3.
What are the key properties of methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate?
methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate has a molecular weight of 212.20 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate is sourced from PubChem (CID 171863528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).