6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid

C13H11FN2O3 — CID 19806953

IUPAC6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
SMILESCCc1cc(=O)c(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-2-9-7-11(17)12(13(18)19)15-16(9)10-5-3-8(14)4-6-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyJTZNTMJMNGJLSV-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.63
Rot. Bonds3

About 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid

6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid (PubChem CID 19806953) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
PubChem CID19806953
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
SMILESCCc1cc(=O)c(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-2-9-7-11(17)12(13(18)19)15-16(9)10-5-3-8(14)4-6-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyJTZNTMJMNGJLSV-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 53157545
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(4-fluorophenyl)-5-(hydroxymethyl)-4-propan-2-ylpyrazole-3-carboxylic acid
CID 69471484
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
6-butyl-1-(4-fluorophenyl)-4-oxo-N-(7H-purin-2-ylsulfonyl)pyridazine-3-carboxamide
CID 70492824
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
CID 50928021
1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 82419822

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid (CID 19806953) is 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid is CCc1cc(=O)c(C(=O)O)nn1-c1ccc(F)cc1.
What is the InChIKey of 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid?
The InChIKey is JTZNTMJMNGJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-9-7-11(17)12(13(18)19)15-16(9)10-5-3-8(14)4-6-10/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid?
6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 19806953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).