2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid

C10H5FN4O2 — CID 169342055

IUPAC2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid
SMILESN#CC(C#N)=NNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H5FN4O2/c11-7-2-1-3-8(9(7)10(16)17)15-14-6(4-12)5-13/h1-3,15H,(H,16,17)
InChIKeyHWQBWDBWUCKYLZ-UHFFFAOYSA-N
MW232.17 g/mol
LogP1.34
Rot. Bonds3

About 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid

2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid (PubChem CID 169342055) has the molecular formula C10H5FN4O2 and a molecular weight of 232.17 g/mol. Its IUPAC name is 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid
PubChem CID169342055
Molecular FormulaC10H5FN4O2
Molecular Weight232.17 g/mol
Exact Mass232.04
IUPAC Name2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid
SMILESN#CC(C#N)=NNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H5FN4O2/c11-7-2-1-3-8(9(7)10(16)17)15-14-6(4-12)5-13/h1-3,15H,(H,16,17)
InChIKeyHWQBWDBWUCKYLZ-UHFFFAOYSA-N
XLogP1.34
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid?
The IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid (CID 169342055) is 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid?
The canonical SMILES for 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid is N#CC(C#N)=NNc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid?
The InChIKey is HWQBWDBWUCKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN4O2/c11-7-2-1-3-8(9(7)10(16)17)15-14-6(4-12)5-13/h1-3,15H,(H,16,17).
What are the key properties of 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid?
2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid has a molecular weight of 232.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid is sourced from PubChem (CID 169342055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).