6-(4-methoxyphenyl)pyridazine-4-carboxylic acid

C12H10N2O3 — CID 121205221

IUPAC6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cnn2)cc1
InChIInChI=1S/C12H10N2O3/c1-17-10-4-2-8(3-5-10)11-6-9(12(15)16)7-13-14-11/h2-7H,1H3,(H,15,16)
InChIKeyLYRYYTNKERUCQD-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid

6-(4-methoxyphenyl)pyridazine-4-carboxylic acid (PubChem CID 121205221) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
PubChem CID121205221
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cnn2)cc1
InChIInChI=1S/C12H10N2O3/c1-17-10-4-2-8(3-5-10)11-6-9(12(15)16)7-13-14-11/h2-7H,1H3,(H,15,16)
InChIKeyLYRYYTNKERUCQD-UHFFFAOYSA-N
XLogP1.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
CID 121205212
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
CID 82390734
6-(4-methoxyphenyl)pyridazine-4-carbonitrile
CID 13434104
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-[4-(4-methoxyphenyl)triazol-1-yl]pyridine-2,6-dicarboxylic acid
CID 89482650
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 83779274
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid (CID 121205221) is 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)cnn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid?
The InChIKey is LYRYYTNKERUCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-10-4-2-8(3-5-10)11-6-9(12(15)16)7-13-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid?
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 121205221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).