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

C8H10N2O4 — CID 170823434

IUPAC2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C8H10N2O4/c1-4-2-3-5(10-9-4)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyGYNKCLQCUWBCPI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.74
Rot. Bonds3

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

2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid (PubChem CID 170823434) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid
PubChem CID170823434
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C8H10N2O4/c1-4-2-3-5(10-9-4)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyGYNKCLQCUWBCPI-UHFFFAOYSA-N
XLogP-0.74
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 2-[hydroxy(3-pyridazinyl)methyl]malonate
CID 15121375
1-(6-Methylpyridazin-3-yl)propane-1,2-diol
CID 122701590
(1R,2R)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
CID 124085414
2-Hydroxy-2-(6-methylpyridazin-3-yl)acetic acid
CID 82413482
1-(6-Methylpyridazin-3-yl)propane-1,2,3-triol
CID 170817328
3-(6-Aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid
CID 170823498
2,3-Dihydroxy-3-(6-methoxypyridazin-3-yl)propanoic acid
CID 170823662
3-(6-Chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
CID 170825008
Methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171863528
Methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171863593
Methyl 2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propanoate
CID 171863755
Methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171865103

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid (CID 170823434) is 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid is Cc1ccc(C(O)C(O)C(=O)O)nn1.
What is the InChIKey of 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid?
The InChIKey is GYNKCLQCUWBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-2-3-5(10-9-4)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-methylpyridazin-3-yl)propanoic acid?
2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid is sourced from PubChem (CID 170823434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).