2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid

C16H18N2O4 — CID 82444166

IUPAC2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
SMILESCC(C)COc1ccccc1-c1cc(C(=O)O)c(=O)n(C)n1
InChIInChI=1S/C16H18N2O4/c1-10(2)9-22-14-7-5-4-6-11(14)13-8-12(16(20)21)15(19)18(3)17-13/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyUKCYBASYPROTIC-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid

2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid (PubChem CID 82444166) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
PubChem CID82444166
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
SMILESCC(C)COc1ccccc1-c1cc(C(=O)O)c(=O)n(C)n1
InChIInChI=1S/C16H18N2O4/c1-10(2)9-22-14-7-5-4-6-11(14)13-8-12(16(20)21)15(19)18(3)17-13/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyUKCYBASYPROTIC-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
3-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82445899
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
CID 82444153
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
5-bromo-2-[2-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54854563
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid (CID 82444166) is 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid is CC(C)COc1ccccc1-c1cc(C(=O)O)c(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid?
The InChIKey is UKCYBASYPROTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(2)9-22-14-7-5-4-6-11(14)13-8-12(16(20)21)15(19)18(3)17-13/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid?
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 82444166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).