3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid

C12H11N3O4 — CID 136965891

IUPAC3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Nc2ccccc2O)nn1
InChIInChI=1S/C12H11N3O4/c1-19-10-6-7(12(17)18)11(15-14-10)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,15)(H,17,18)
InChIKeyQHZLNZKQHMHGTO-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.63
Rot. Bonds4

About 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid

3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid (PubChem CID 136965891) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid
PubChem CID136965891
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Nc2ccccc2O)nn1
InChIInChI=1S/C12H11N3O4/c1-19-10-6-7(12(17)18)11(15-14-10)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,15)(H,17,18)
InChIKeyQHZLNZKQHMHGTO-UHFFFAOYSA-N
XLogP1.63
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
CID 70545123
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 3077597
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
6-(2-hydroxyanilino)pyridazine-4-carboxylic acid
CID 136965896
2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
CID 117102977
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
2-hydroxybenzoic acid;methyl acetate
CID 157381538
5-(2-fluorophenyl)-2-methoxypyridine-4-carboxylic acid
CID 46314072
3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
CID 89369426
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid (CID 136965891) is 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(Nc2ccccc2O)nn1.
What is the InChIKey of 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid?
The InChIKey is QHZLNZKQHMHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-10-6-7(12(17)18)11(15-14-10)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid?
3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyanilino)-6-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 136965891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).