ethyl 2-bromo-6-hydrazinylbenzoate

C9H11BrN2O2 — CID 131011841

IUPACethyl 2-bromo-6-hydrazinylbenzoate
SMILESCCOC(=O)c1c(Br)cccc1NN
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)8-6(10)4-3-5-7(8)12-11/h3-5,12H,2,11H2,1H3
InChIKeyBLDMCDKEIHESCX-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-bromo-6-hydrazinylbenzoate

ethyl 2-bromo-6-hydrazinylbenzoate (PubChem CID 131011841) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-bromo-6-hydrazinylbenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-6-hydrazinylbenzoate
PubChem CID131011841
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Nameethyl 2-bromo-6-hydrazinylbenzoate
SMILESCCOC(=O)c1c(Br)cccc1NN
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)8-6(10)4-3-5-7(8)12-11/h3-5,12H,2,11H2,1H3
InChIKeyBLDMCDKEIHESCX-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-bromo-6-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 10592499
ethyl 2-(bromomethyl)-3-hydrazinylbenzoate
CID 134648707
ethyl 4-bromo-3-hydrazinylbenzoate
CID 131028367
ethyl 2-cyano-3-hydrazinylbenzoate
CID 134642108
ethyl 2,6-dibromo-3-methylbenzoate
CID 131699651
ethyl 2,6-dimethylbenzoate
CID 520807
methyl 2-bromo-6-(3-ethoxy-3-oxopropyl)benzoate
CID 134648175
ethyl 2-amino-5-(3-bromo-2-methylanilino)benzoate
CID 107637696
ethyl 2-(3-bromo-2-methylanilino)butanoate
CID 107633694
ethyl 4-(3-bromo-2-carbamothioylanilino)butanoate
CID 114882477
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
ethyl 2,6-difluorobenzoate
CID 519631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-6-hydrazinylbenzoate?
The IUPAC name of ethyl 2-bromo-6-hydrazinylbenzoate (CID 131011841) is ethyl 2-bromo-6-hydrazinylbenzoate.
What is the SMILES notation for ethyl 2-bromo-6-hydrazinylbenzoate?
The canonical SMILES for ethyl 2-bromo-6-hydrazinylbenzoate is CCOC(=O)c1c(Br)cccc1NN.
What is the InChIKey of ethyl 2-bromo-6-hydrazinylbenzoate?
The InChIKey is BLDMCDKEIHESCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-14-9(13)8-6(10)4-3-5-7(8)12-11/h3-5,12H,2,11H2,1H3.
What are the key properties of ethyl 2-bromo-6-hydrazinylbenzoate?
ethyl 2-bromo-6-hydrazinylbenzoate has a molecular weight of 259.10 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-6-hydrazinylbenzoate is sourced from PubChem (CID 131011841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).