2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid

C12H8Cl2N2O3 — CID 97058328

IUPAC2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl2N2O3/c1-6-4-8(12(18)19)11(17)16(15-6)7-2-3-9(13)10(14)5-7/h2-5H,1H3,(H,18,19)
InChIKeyURQGWBBJAGZDQQ-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.55
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid

2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 97058328) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID97058328
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl2N2O3/c1-6-4-8(12(18)19)11(17)16(15-6)7-2-3-9(13)10(14)5-7/h2-5H,1H3,(H,18,19)
InChIKeyURQGWBBJAGZDQQ-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid (CID 97058328) is 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid is Cc1cc(C(=O)O)c(=O)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is URQGWBBJAGZDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-6-4-8(12(18)19)11(17)16(15-6)7-2-3-9(13)10(14)5-7/h2-5H,1H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid?
2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 299.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 97058328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).