3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C12H10N2O3 — CID 83644193

IUPAC3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-6-9(12(16)17)11(15)14-13-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyDMZNTPIOWREXTG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.44
Rot. Bonds2

About 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 83644193) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID83644193
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-6-9(12(16)17)11(15)14-13-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyDMZNTPIOWREXTG-UHFFFAOYSA-N
XLogP1.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82391091
6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 83711439
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 83644193) is 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is DMZNTPIOWREXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-6-9(12(16)17)11(15)14-13-10/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 83644193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).