ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate

C10H10ClFN2O4 — CID 174346353

IUPACethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate
SMILESCCOC(=O)OC(=O)c1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O4/c1-2-17-10(16)18-9(15)5-3-8(14-13)7(12)4-6(5)11/h3-4,14H,2,13H2,1H3
InChIKeySKEAZOCTUXNJLS-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.08
Rot. Bonds3

About ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate

ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate (PubChem CID 174346353) has the molecular formula C10H10ClFN2O4 and a molecular weight of 276.65 g/mol. Its IUPAC name is ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate.

Molecular Properties

Compound Nameethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate
PubChem CID174346353
Molecular FormulaC10H10ClFN2O4
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Nameethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate
SMILESCCOC(=O)OC(=O)c1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O4/c1-2-17-10(16)18-9(15)5-3-8(14-13)7(12)4-6(5)11/h3-4,14H,2,13H2,1H3
InChIKeySKEAZOCTUXNJLS-UHFFFAOYSA-N
XLogP2.08
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-4-fluoro-5-hydrazinylbenzoate;hydrochloride
CID 57422994
1-O-(2-chloro-4,5-difluorobenzoyl) 3-O-ethyl 2-ethylpropanedioate
CID 57090902
(4-chloro-5-ethyl-2-fluorophenyl)hydrazine
CID 22898331
dimethyl (E)-2-(4-chloro-5-ethoxycarbonyl-2-fluoroanilino)but-2-enedioate
CID 168570203
methyl 2,4-dichloro-5-hydrazinylbenzoate
CID 57422972
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179
ethyl 2-chloro-4-fluoro-5-[2-(2-hydroxyiminocyclohexylidene)hydrazinyl]benzoate
CID 139685372
ethyl 4-fluoro-3-hydrazinylbenzoate
CID 130822836
ethyl 1-[(4-chloro-5-ethoxycarbonyl-2-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 15589898
ethyl 2-chloro-4-fluoro-5-fluorosulfonylbenzoate
CID 165453287
ethyl 2-chloro-5-cyano-4-fluorobenzoate
CID 134650896
ethyl 4-chloro-2,3,6-trifluorobenzoate
CID 134643432

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate?
The IUPAC name of ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate (CID 174346353) is ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate.
What is the SMILES notation for ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate?
The canonical SMILES for ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate is CCOC(=O)OC(=O)c1cc(NN)c(F)cc1Cl.
What is the InChIKey of ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate?
The InChIKey is SKEAZOCTUXNJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O4/c1-2-17-10(16)18-9(15)5-3-8(14-13)7(12)4-6(5)11/h3-4,14H,2,13H2,1H3.
What are the key properties of ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate?
ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate has a molecular weight of 276.65 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate is sourced from PubChem (CID 174346353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).