6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid

C12H10N2O3 — CID 2784470

IUPAC6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C12H10N2O3/c1-8-7-10(15)11(12(16)17)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKeyIYLQQYCKWAAZLD-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.24
Rot. Bonds2

About 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid

6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid (PubChem CID 2784470) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid
PubChem CID2784470
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C12H10N2O3/c1-8-7-10(15)11(12(16)17)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKeyIYLQQYCKWAAZLD-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid (CID 2784470) is 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid?
The InChIKey is IYLQQYCKWAAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-7-10(15)11(12(16)17)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17).
What are the key properties of 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid?
6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid is sourced from PubChem (CID 2784470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).