6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid

C13H13N3O4 — CID 82950207

IUPAC6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCOc1ccc(N)c(C(=O)O)c1Oc1ccc(C)nn1
InChIInChI=1S/C13H13N3O4/c1-7-3-6-10(16-15-7)20-12-9(19-2)5-4-8(14)11(12)13(17)18/h3-6H,14H2,1-2H3,(H,17,18)
InChIKeyOKGKURBUERUMRP-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.87
Rot. Bonds4

About 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid

6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid (PubChem CID 82950207) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid
PubChem CID82950207
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCOc1ccc(N)c(C(=O)O)c1Oc1ccc(C)nn1
InChIInChI=1S/C13H13N3O4/c1-7-3-6-10(16-15-7)20-12-9(19-2)5-4-8(14)11(12)13(17)18/h3-6H,14H2,1-2H3,(H,17,18)
InChIKeyOKGKURBUERUMRP-UHFFFAOYSA-N
XLogP1.87
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid?
The IUPAC name of 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid (CID 82950207) is 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid.
What is the SMILES notation for 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid?
The canonical SMILES for 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid is COc1ccc(N)c(C(=O)O)c1Oc1ccc(C)nn1.
What is the InChIKey of 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid?
The InChIKey is OKGKURBUERUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-3-6-10(16-15-7)20-12-9(19-2)5-4-8(14)11(12)13(17)18/h3-6H,14H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid?
6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid is sourced from PubChem (CID 82950207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).