2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid

C11H10N2O4 — CID 117127666

IUPAC2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid
SMILESCc1ccc(-c2cnn(C)c(=O)c2C(=O)O)o1
InChIInChI=1S/C11H10N2O4/c1-6-3-4-8(17-6)7-5-12-13(2)10(14)9(7)11(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyVYGXLJYBDKISGW-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.05
Rot. Bonds2

About 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid

2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid (PubChem CID 117127666) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid
PubChem CID117127666
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid
SMILESCc1ccc(-c2cnn(C)c(=O)c2C(=O)O)o1
InChIInChI=1S/C11H10N2O4/c1-6-3-4-8(17-6)7-5-12-13(2)10(14)9(7)11(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyVYGXLJYBDKISGW-UHFFFAOYSA-N
XLogP1.05
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
CID 82036569
2-methyl-3-oxo-5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127664
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 175841744
2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
CID 117127697
1-methyl-5-(5-methylfuran-2-yl)pyrazole
CID 116869204
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
3-methyl-4-oxophthalazine-5-carboxylic acid
CID 12955517
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344
6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one
CID 117260641
3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid
CID 117127488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid (CID 117127666) is 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid is Cc1ccc(-c2cnn(C)c(=O)c2C(=O)O)o1.
What is the InChIKey of 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid?
The InChIKey is VYGXLJYBDKISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6-3-4-8(17-6)7-5-12-13(2)10(14)9(7)11(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid?
2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 117127666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).