2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid

C14H12Cl2N2O3 — CID 19989341

IUPAC2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-3-11-13(14(20)21)12(19)7-17-18(11)8-4-5-9(15)10(16)6-8/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyWRJKSMQEMVCGSW-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid

2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid (PubChem CID 19989341) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid
PubChem CID19989341
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-3-11-13(14(20)21)12(19)7-17-18(11)8-4-5-9(15)10(16)6-8/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyWRJKSMQEMVCGSW-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.19
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)-5-oxo-3-propylpyridazine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid (CID 19989341) is 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid is CCCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid?
The InChIKey is WRJKSMQEMVCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-2-3-11-13(14(20)21)12(19)7-17-18(11)8-4-5-9(15)10(16)6-8/h4-7H,2-3H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid?
2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid has a molecular weight of 327.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid is sourced from PubChem (CID 19989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).