4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid

C13H11ClN2O4 — CID 21163013

IUPAC4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=NN1
InChIInChI=1S/C13H11ClN2O4/c1-6-9(12(17)18)10(11(13(19)20)16-15-6)7-4-2-3-5-8(7)14/h2-5,10,15H,1H3,(H,17,18)(H,19,20)
InChIKeyUEZWKQGJDBBVLM-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.83
Rot. Bonds3

About 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid

4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid (PubChem CID 21163013) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid
PubChem CID21163013
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=NN1
InChIInChI=1S/C13H11ClN2O4/c1-6-9(12(17)18)10(11(13(19)20)16-15-6)7-4-2-3-5-8(7)14/h2-5,10,15H,1H3,(H,17,18)(H,19,20)
InChIKeyUEZWKQGJDBBVLM-UHFFFAOYSA-N
XLogP1.83
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid (CID 21163013) is 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=NN1.
What is the InChIKey of 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid?
The InChIKey is UEZWKQGJDBBVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-6-9(12(17)18)10(11(13(19)20)16-15-6)7-4-2-3-5-8(7)14/h2-5,10,15H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid?
4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid has a molecular weight of 294.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridazine-3,5-dicarboxylic acid is sourced from PubChem (CID 21163013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).