2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid

C8H9IN2O3 — CID 130882882

IUPAC2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
SMILESNNc1c(I)cccc1C(O)C(=O)O
InChIInChI=1S/C8H9IN2O3/c9-5-3-1-2-4(6(5)11-10)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14)
InChIKeyKLZKMOCUFGOAEF-UHFFFAOYSA-N
MW308.08 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid

2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid (PubChem CID 130882882) has the molecular formula C8H9IN2O3 and a molecular weight of 308.08 g/mol. Its IUPAC name is 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
PubChem CID130882882
Molecular FormulaC8H9IN2O3
Molecular Weight308.08 g/mol
Exact Mass307.97
IUPAC Name2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
SMILESNNc1c(I)cccc1C(O)C(=O)O
InChIInChI=1S/C8H9IN2O3/c9-5-3-1-2-4(6(5)11-10)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14)
InChIKeyKLZKMOCUFGOAEF-UHFFFAOYSA-N
XLogP0.69
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
[2-(difluoromethyl)-6-iodophenyl]hydrazine
CID 118854383
2-(2-amino-3-hydrazinylphenyl)-2-hydroxyacetic acid
CID 119012765
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
CID 66513231
2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118995862
2-(2-iodophenyl)propanedioic acid
CID 172796761
CID 70117604
CID 70117604
2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998296
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
CID 117279696

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid (CID 130882882) is 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid is NNc1c(I)cccc1C(O)C(=O)O.
What is the InChIKey of 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid?
The InChIKey is KLZKMOCUFGOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3/c9-5-3-1-2-4(6(5)11-10)7(12)8(13)14/h1-3,7,11-12H,10H2,(H,13,14).
What are the key properties of 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid?
2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid has a molecular weight of 308.08 g/mol, XLogP of 0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 130882882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).