3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid

C14H11FN2O2 — CID 78596939

IUPAC3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O2/c15-12-6-4-10(5-7-12)9-16-17-13-3-1-2-11(8-13)14(18)19/h1-9,17H,(H,18,19)
InChIKeyQTPBCBWLZXQXTO-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.97
Rot. Bonds4

About 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid

3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 78596939) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID78596939
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O2/c15-12-6-4-10(5-7-12)9-16-17-13-3-1-2-11(8-13)14(18)19/h1-9,17H,(H,18,19)
InChIKeyQTPBCBWLZXQXTO-UHFFFAOYSA-N
XLogP2.97
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
CID 59339716
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973534
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid (CID 78596939) is 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1cccc(NN=Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is QTPBCBWLZXQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-6-4-10(5-7-12)9-16-17-13-3-1-2-11(8-13)14(18)19/h1-9,17H,(H,18,19).
What are the key properties of 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 258.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 78596939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).