3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid

C13H11N3O2 — CID 6110649

IUPAC3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C\c2cccnc2)c1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-4-1-5-12(7-11)16-15-9-10-3-2-6-14-8-10/h1-9,16H,(H,17,18)/b15-9-
InChIKeyHPEVHFMTOGLONC-DHDCSXOGSA-N
MW241.25 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid

3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 6110649) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID6110649
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C\c2cccnc2)c1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-4-1-5-12(7-11)16-15-9-10-3-2-6-14-8-10/h1-9,16H,(H,17,18)/b15-9-
InChIKeyHPEVHFMTOGLONC-DHDCSXOGSA-N
XLogP2.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 8973444
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
benzene-1,3-dicarboxylic acid;N-methylpyridin-3-amine;hydrochloride
CID 174581600
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
methyl 3-[(pyridin-3-ylmethylideneamino)carbamothioylamino]benzoate
CID 728286
[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 3277359

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid (CID 6110649) is 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1cccc(N/N=C\c2cccnc2)c1.
What is the InChIKey of 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is HPEVHFMTOGLONC-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(18)11-4-1-5-12(7-11)16-15-9-10-3-2-6-14-8-10/h1-9,16H,(H,17,18)/b15-9-.
What are the key properties of 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 6110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).