4-amino-3-pyridazin-3-ylbenzoic acid

C11H9N3O2 — CID 165444620

IUPAC4-amino-3-pyridazin-3-ylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1-c1cccnn1
InChIInChI=1S/C11H9N3O2/c12-9-4-3-7(11(15)16)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2,(H,15,16)
InChIKeyUJXFEBSVYIJNCC-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.42
Rot. Bonds2

About 4-amino-3-pyridazin-3-ylbenzoic acid

4-amino-3-pyridazin-3-ylbenzoic acid (PubChem CID 165444620) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-amino-3-pyridazin-3-ylbenzoic acid.

Molecular Properties

Compound Name4-amino-3-pyridazin-3-ylbenzoic acid
PubChem CID165444620
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-amino-3-pyridazin-3-ylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1-c1cccnn1
InChIInChI=1S/C11H9N3O2/c12-9-4-3-7(11(15)16)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2,(H,15,16)
InChIKeyUJXFEBSVYIJNCC-UHFFFAOYSA-N
XLogP1.42
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
CID 145282408
2-pyridazin-3-ylbenzoic acid
CID 68896224
4-amino-3-(3,5-dimethylphenyl)benzoic acid
CID 82292985
4-amino-3-[(2-methyl-3-pyridinyl)oxy]benzoic acid
CID 82795845
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
4-amino-3-(4-tert-butylphenyl)benzoic acid
CID 82305590
5-pyridazin-3-ylfuran-2-carboxylic acid
CID 118477530
5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
CID 175705174
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-pyridazin-3-ylbenzoic acid
CID 176682630
(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
CID 15049840

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyridazin-3-ylbenzoic acid?
The IUPAC name of 4-amino-3-pyridazin-3-ylbenzoic acid (CID 165444620) is 4-amino-3-pyridazin-3-ylbenzoic acid.
What is the SMILES notation for 4-amino-3-pyridazin-3-ylbenzoic acid?
The canonical SMILES for 4-amino-3-pyridazin-3-ylbenzoic acid is Nc1ccc(C(=O)O)cc1-c1cccnn1.
What is the InChIKey of 4-amino-3-pyridazin-3-ylbenzoic acid?
The InChIKey is UJXFEBSVYIJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-9-4-3-7(11(15)16)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2,(H,15,16).
What are the key properties of 4-amino-3-pyridazin-3-ylbenzoic acid?
4-amino-3-pyridazin-3-ylbenzoic acid has a molecular weight of 215.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyridazin-3-ylbenzoic acid is sourced from PubChem (CID 165444620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).