4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid

C17H12FN3O2 — CID 25219800

IUPAC4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-10-16(21-20-15)19-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,19,21)(H,22,23)
InChIKeyAOLKZQABRLRQNP-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.72
Rot. Bonds4

About 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid

4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid (PubChem CID 25219800) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid
PubChem CID25219800
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-10-16(21-20-15)19-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,19,21)(H,22,23)
InChIKeyAOLKZQABRLRQNP-UHFFFAOYSA-N
XLogP3.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Phthalazin-1-ylamino)benzoic acid
CID 43517028
1-[4-[[6-(2-Fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 6411229
4-(5-amino-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzoic acid
CID 2962288
4-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381081
Ethyl 4-((4-methylphthalazin-1-yl)amino)benzoate
CID 2869543
4-(5-Amino-3-methyl-pyrazol-1-YL)-benzoic acid hydrochloride
CID 16192567
4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
CID 780318
4-[3,5-Diamino-4-[(2-fluorophenyl)diazenyl]pyrazol-1-yl]benzoic acid
CID 162739679
Methyl 4-(1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidine-3-carboxamido)benzoate
CID 44059792
4-(5-amino-3-phenyl-1H-pyrazol-1-yl)benzoic acid
CID 1961459
4-[[2-Cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzoic acid
CID 58662328
4-[[5-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186316

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid (CID 25219800) is 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid?
The InChIKey is AOLKZQABRLRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-10-16(21-20-15)19-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,19,21)(H,22,23).
What are the key properties of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid?
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid has a molecular weight of 309.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid is sourced from PubChem (CID 25219800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).