2-pyridazin-3-ylbenzoic acid

C11H8N2O2 — CID 68896224

IUPAC2-pyridazin-3-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccnn1
InChIInChI=1S/C11H8N2O2/c14-11(15)9-5-2-1-4-8(9)10-6-3-7-12-13-10/h1-7H,(H,14,15)
InChIKeyOLBHEYLMPFSNIZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 2-pyridazin-3-ylbenzoic acid

2-pyridazin-3-ylbenzoic acid (PubChem CID 68896224) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-pyridazin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-pyridazin-3-ylbenzoic acid
PubChem CID68896224
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-pyridazin-3-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccnn1
InChIInChI=1S/C11H8N2O2/c14-11(15)9-5-2-1-4-8(9)10-6-3-7-12-13-10/h1-7H,(H,14,15)
InChIKeyOLBHEYLMPFSNIZ-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
CID 144691280
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
4-amino-3-pyridazin-3-ylbenzoic acid
CID 165444620
5-pyridazin-3-ylfuran-2-carboxylic acid
CID 118477530
acetylene;2-phenylbenzoic acid
CID 67726329
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
magnesium;phthalic acid;dichloride
CID 22501626
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylbenzoic acid?
The IUPAC name of 2-pyridazin-3-ylbenzoic acid (CID 68896224) is 2-pyridazin-3-ylbenzoic acid.
What is the SMILES notation for 2-pyridazin-3-ylbenzoic acid?
The canonical SMILES for 2-pyridazin-3-ylbenzoic acid is O=C(O)c1ccccc1-c1cccnn1.
What is the InChIKey of 2-pyridazin-3-ylbenzoic acid?
The InChIKey is OLBHEYLMPFSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)9-5-2-1-4-8(9)10-6-3-7-12-13-10/h1-7H,(H,14,15).
What are the key properties of 2-pyridazin-3-ylbenzoic acid?
2-pyridazin-3-ylbenzoic acid has a molecular weight of 200.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylbenzoic acid is sourced from PubChem (CID 68896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).