3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid

C14H10FIN2O2 — CID 59339716

IUPAC3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C/c2cc(I)ccc2F)c1
InChIInChI=1S/C14H10FIN2O2/c15-13-5-4-11(16)6-10(13)8-17-18-12-3-1-2-9(7-12)14(19)20/h1-8,18H,(H,19,20)/b17-8+
InChIKeyRZDRFSWMYVVJPL-CAOOACKPSA-N
MW384.15 g/mol
LogP3.57
Rot. Bonds4

About 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid

3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 59339716) has the molecular formula C14H10FIN2O2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID59339716
Molecular FormulaC14H10FIN2O2
Molecular Weight384.15 g/mol
Exact Mass383.98
IUPAC Name3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C/c2cc(I)ccc2F)c1
InChIInChI=1S/C14H10FIN2O2/c15-13-5-4-11(16)6-10(13)8-17-18-12-3-1-2-9(7-12)14(19)20/h1-8,18H,(H,19,20)/b17-8+
InChIKeyRZDRFSWMYVVJPL-CAOOACKPSA-N
XLogP3.57
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
3-[[(2-fluorophenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 5063629
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid (CID 59339716) is 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1cccc(N/N=C/c2cc(I)ccc2F)c1.
What is the InChIKey of 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is RZDRFSWMYVVJPL-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10FIN2O2/c15-13-5-4-11(16)6-10(13)8-17-18-12-3-1-2-9(7-12)14(19)20/h1-8,18H,(H,19,20)/b17-8+.
What are the key properties of 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid?
3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 384.15 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 59339716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).