4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate

C13H10N3O2- — CID 7066822

IUPAC4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccncc2)cc1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-1-3-12(4-2-11)16-15-9-10-5-7-14-8-6-10/h1-9,16H,(H,17,18)/p-1/b15-9-
InChIKeyHHMMTQDSWWHWCL-DHDCSXOGSA-M
MW240.24 g/mol
LogP0.89
Rot. Bonds4

About 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate

4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate (PubChem CID 7066822) has the molecular formula C13H10N3O2- and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
PubChem CID7066822
Molecular FormulaC13H10N3O2-
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccncc2)cc1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-1-3-12(4-2-11)16-15-9-10-5-7-14-8-6-10/h1-9,16H,(H,17,18)/p-1/b15-9-
InChIKeyHHMMTQDSWWHWCL-DHDCSXOGSA-M
XLogP0.89
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
lithium;pyridine-4-carboxylate;dihydrate
CID 172830071
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate (CID 7066822) is 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate is O=C([O-])c1ccc(N/N=C\c2ccncc2)cc1.
What is the InChIKey of 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate?
The InChIKey is HHMMTQDSWWHWCL-DHDCSXOGSA-M. The full InChI is InChI=1S/C13H11N3O2/c17-13(18)11-1-3-12(4-2-11)16-15-9-10-5-7-14-8-6-10/h1-9,16H,(H,17,18)/p-1/b15-9-.
What are the key properties of 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate?
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate has a molecular weight of 240.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate is sourced from PubChem (CID 7066822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).