4-(2-pyridazin-4-ylethenyl)benzoic acid

C13H10N2O2 — CID 91941448

IUPAC4-(2-pyridazin-4-ylethenyl)benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccnnc2)cc1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H,(H,16,17)
InChIKeyYQWKQYIVOMPLNP-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.35
Rot. Bonds3

About 4-(2-pyridazin-4-ylethenyl)benzoic acid

4-(2-pyridazin-4-ylethenyl)benzoic acid (PubChem CID 91941448) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2-pyridazin-4-ylethenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-pyridazin-4-ylethenyl)benzoic acid
PubChem CID91941448
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-(2-pyridazin-4-ylethenyl)benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccnnc2)cc1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H,(H,16,17)
InChIKeyYQWKQYIVOMPLNP-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid
CID 86798848
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037
4-[(E)-2-(1H-imidazol-5-yl)ethenyl]benzoic acid
CID 58256819
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
4-[(E)-2-chloroethenyl]pyridazine
CID 142782004
4-[2-(4-carboxyphenyl)ethenyl]benzoic acid;methyl dihydrogen phosphate
CID 67852899
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
4-[6-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]hexoxy]benzoic acid
CID 102014240
4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridazin-4-ylethenyl)benzoic acid?
The IUPAC name of 4-(2-pyridazin-4-ylethenyl)benzoic acid (CID 91941448) is 4-(2-pyridazin-4-ylethenyl)benzoic acid.
What is the SMILES notation for 4-(2-pyridazin-4-ylethenyl)benzoic acid?
The canonical SMILES for 4-(2-pyridazin-4-ylethenyl)benzoic acid is O=C(O)c1ccc(C=Cc2ccnnc2)cc1.
What is the InChIKey of 4-(2-pyridazin-4-ylethenyl)benzoic acid?
The InChIKey is YQWKQYIVOMPLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)12-5-3-10(4-6-12)1-2-11-7-8-14-15-9-11/h1-9H,(H,16,17).
What are the key properties of 4-(2-pyridazin-4-ylethenyl)benzoic acid?
4-(2-pyridazin-4-ylethenyl)benzoic acid has a molecular weight of 226.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridazin-4-ylethenyl)benzoic acid is sourced from PubChem (CID 91941448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).