ethyl 5-hydrazinyl-2-iodobenzoate

C9H11IN2O2 — CID 130775053

IUPACethyl 5-hydrazinyl-2-iodobenzoate
SMILESCCOC(=O)c1cc(NN)ccc1I
InChIInChI=1S/C9H11IN2O2/c1-2-14-9(13)7-5-6(12-11)3-4-8(7)10/h3-5,12H,2,11H2,1H3
InChIKeyNHBCKIYHCGZEEV-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.75
Rot. Bonds3

About ethyl 5-hydrazinyl-2-iodobenzoate

ethyl 5-hydrazinyl-2-iodobenzoate (PubChem CID 130775053) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is ethyl 5-hydrazinyl-2-iodobenzoate.

Molecular Properties

Compound Nameethyl 5-hydrazinyl-2-iodobenzoate
PubChem CID130775053
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Nameethyl 5-hydrazinyl-2-iodobenzoate
SMILESCCOC(=O)c1cc(NN)ccc1I
InChIInChI=1S/C9H11IN2O2/c1-2-14-9(13)7-5-6(12-11)3-4-8(7)10/h3-5,12H,2,11H2,1H3
InChIKeyNHBCKIYHCGZEEV-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
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

ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
ethyl 4-hydrazinyl-2-sulfamoylbenzoate
CID 14837219
ethyl 2-iodo-5-(2-oxopropyl)benzoate
CID 134642714
ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
CID 134642092
ethyl 3-hydrazinyl-4-iodobenzoate
CID 131192878
ethyl 3-hydrazinylnaphthalene-1-carboxylate
CID 67271150
ethyl 5-(2-hydroxyethoxy)-2-iodobenzoate
CID 3737455
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
ethyl 5-(4-ethylphenyl)sulfanyl-2-iodobenzoate
CID 91878180
ethyl 5-(4-bromophenyl)sulfanyl-2-iodobenzoate
CID 91877185
ethyl 2-iodo-5-nitrobenzoate;2-iodo-5-nitrobenzoic acid
CID 158664994

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydrazinyl-2-iodobenzoate?
The IUPAC name of ethyl 5-hydrazinyl-2-iodobenzoate (CID 130775053) is ethyl 5-hydrazinyl-2-iodobenzoate.
What is the SMILES notation for ethyl 5-hydrazinyl-2-iodobenzoate?
The canonical SMILES for ethyl 5-hydrazinyl-2-iodobenzoate is CCOC(=O)c1cc(NN)ccc1I.
What is the InChIKey of ethyl 5-hydrazinyl-2-iodobenzoate?
The InChIKey is NHBCKIYHCGZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-2-14-9(13)7-5-6(12-11)3-4-8(7)10/h3-5,12H,2,11H2,1H3.
What are the key properties of ethyl 5-hydrazinyl-2-iodobenzoate?
ethyl 5-hydrazinyl-2-iodobenzoate has a molecular weight of 306.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinyl-2-iodobenzoate is sourced from PubChem (CID 130775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).