4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid

C12H10FN3O4 — CID 43358589

IUPAC4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
SMILESO=C1CCC(C(=O)Nc2cc(F)ccc2C(=O)O)=NN1
InChIInChI=1S/C12H10FN3O4/c13-6-1-2-7(12(19)20)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyXTQAHNGLDRGCRA-UHFFFAOYSA-N
MW279.23 g/mol
LogP0.73
Rot. Bonds3

About 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid

4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid (PubChem CID 43358589) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
PubChem CID43358589
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
SMILESO=C1CCC(C(=O)Nc2cc(F)ccc2C(=O)O)=NN1
InChIInChI=1S/C12H10FN3O4/c13-6-1-2-7(12(19)20)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyXTQAHNGLDRGCRA-UHFFFAOYSA-N
XLogP0.73
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43358146
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
CID 4845852
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid (CID 43358589) is 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid is O=C1CCC(C(=O)Nc2cc(F)ccc2C(=O)O)=NN1.
What is the InChIKey of 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid?
The InChIKey is XTQAHNGLDRGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-6-1-2-7(12(19)20)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17)(H,19,20).
What are the key properties of 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid?
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid has a molecular weight of 279.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43358589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).