4-pyridazin-3-ylbenzoic acid

C11H8N2O2 — CID 18182561

IUPAC4-pyridazin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnn2)cc1
InChIInChI=1S/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15)
InChIKeyFJBBZZOMNVFEHC-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 4-pyridazin-3-ylbenzoic acid

4-pyridazin-3-ylbenzoic acid (PubChem CID 18182561) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-pyridazin-3-ylbenzoic acid.

Molecular Properties

Compound Name4-pyridazin-3-ylbenzoic acid
PubChem CID18182561
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name4-pyridazin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnn2)cc1
InChIInChI=1S/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15)
InChIKeyFJBBZZOMNVFEHC-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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Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-3-ylbenzoic acid?
The IUPAC name of 4-pyridazin-3-ylbenzoic acid (CID 18182561) is 4-pyridazin-3-ylbenzoic acid.
What is the SMILES notation for 4-pyridazin-3-ylbenzoic acid?
The canonical SMILES for 4-pyridazin-3-ylbenzoic acid is O=C(O)c1ccc(-c2cccnn2)cc1.
What is the InChIKey of 4-pyridazin-3-ylbenzoic acid?
The InChIKey is FJBBZZOMNVFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15).
What are the key properties of 4-pyridazin-3-ylbenzoic acid?
4-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 4-pyridazin-3-ylbenzoic acid is sourced from PubChem (CID 18182561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).