3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid

C13H10N2O2 — CID 86798848

IUPAC3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid
SMILESO=C(O)c1cccc(/C=C/c2ccnnc2)c1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-3-1-2-10(8-12)4-5-11-6-7-14-15-9-11/h1-9H,(H,16,17)/b5-4+
InChIKeyVWLNEJJTQJFYGG-SNAWJCMRSA-N
MW226.23 g/mol
LogP2.35
Rot. Bonds3

About 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid

3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid (PubChem CID 86798848) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid.

Molecular Properties

Compound Name3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid
PubChem CID86798848
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid
SMILESO=C(O)c1cccc(/C=C/c2ccnnc2)c1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-3-1-2-10(8-12)4-5-11-6-7-14-15-9-11/h1-9H,(H,16,17)/b5-4+
InChIKeyVWLNEJJTQJFYGG-SNAWJCMRSA-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

4-(2-pyridazin-4-ylethenyl)benzoic acid
CID 91941448
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
3-(2-bromoethenyl)benzoic acid
CID 151248021
3-[2-[3-(dihydroxymethyl)phenyl]ethenyl]benzoic acid
CID 73456144
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
3-(2-methoxyethenyl)benzoic acid
CID 70467435
3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid
CID 155479518
3-formylbenzoic acid;methanol
CID 142242456
3-[(E)-2-(4-hydroxy-2-methylphenyl)ethenyl]benzoic acid
CID 155479639
cadmium(2+);bis(3-[(E)-2-pyridin-4-ylethenyl]benzoate)
CID 15364197
3-[(Z)-2-[3-(2,2-dimethylpropanoylamino)phenyl]ethenyl]benzoic acid
CID 102374289
3-[2-(4-bromonaphthalen-1-yl)ethenyl]benzoic acid
CID 70566086

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid?
The IUPAC name of 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid (CID 86798848) is 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid.
What is the SMILES notation for 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid?
The canonical SMILES for 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid is O=C(O)c1cccc(/C=C/c2ccnnc2)c1.
What is the InChIKey of 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid?
The InChIKey is VWLNEJJTQJFYGG-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)12-3-1-2-10(8-12)4-5-11-6-7-14-15-9-11/h1-9H,(H,16,17)/b5-4+.
What are the key properties of 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid?
3-[(E)-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 3-[(E)-2-pyridazin-4-ylethenyl]benzoic acid is sourced from PubChem (CID 86798848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).