4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid

C14H10N4O2 — CID 4092858

IUPAC4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
SMILESN#CC(=NNc1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C14H10N4O2/c15-9-13(12-3-1-2-8-16-12)18-17-11-6-4-10(5-7-11)14(19)20/h1-8,17H,(H,19,20)
InChIKeyVUDRHRUHASUEAI-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.12
Rot. Bonds4

About 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid

4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid (PubChem CID 4092858) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
PubChem CID4092858
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
SMILESN#CC(=NNc1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C14H10N4O2/c15-9-13(12-3-1-2-8-16-12)18-17-11-6-4-10(5-7-11)14(19)20/h1-8,17H,(H,19,20)
InChIKeyVUDRHRUHASUEAI-UHFFFAOYSA-N
XLogP2.12
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
4-[2-[1H-benzimidazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid
CID 4094799
(2E)-N-(1H-pyrazol-5-ylamino)pyridine-2-carboximidoyl cyanide
CID 10954852
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
4-methyl-N-(4-pyrimidin-2-ylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 150721183
benzoic acid;pyridine-2-carboxamide
CID 67821051
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
(1E)-2-amino-2-oxo-N-(4-pyrimidin-2-ylanilino)ethanimidoyl cyanide
CID 167211260
CID 175246691
CID 175246691
CID 173156131
CID 173156131

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid (CID 4092858) is 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid is N#CC(=NNc1ccc(C(=O)O)cc1)c1ccccn1.
What is the InChIKey of 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is VUDRHRUHASUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-9-13(12-3-1-2-8-16-12)18-17-11-6-4-10(5-7-11)14(19)20/h1-8,17H,(H,19,20).
What are the key properties of 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid?
4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 4092858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).