methyl 2,4-dichloro-5-hydrazinylbenzoate

C8H8Cl2N2O2 — CID 57422972

IUPACmethyl 2,4-dichloro-5-hydrazinylbenzoate
SMILESCOC(=O)c1cc(NN)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-14-8(13)4-2-7(12-11)6(10)3-5(4)9/h2-3,12H,11H2,1H3
InChIKeyRTEZRWAORCVPKF-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.07
Rot. Bonds2

About methyl 2,4-dichloro-5-hydrazinylbenzoate

methyl 2,4-dichloro-5-hydrazinylbenzoate (PubChem CID 57422972) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2,4-dichloro-5-hydrazinylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-5-hydrazinylbenzoate
PubChem CID57422972
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Namemethyl 2,4-dichloro-5-hydrazinylbenzoate
SMILESCOC(=O)c1cc(NN)c(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-14-8(13)4-2-7(12-11)6(10)3-5(4)9/h2-3,12H,11H2,1H3
InChIKeyRTEZRWAORCVPKF-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.07
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

methyl 2-chloro-4-fluoro-5-hydrazinylbenzoate;hydrochloride
CID 57422994
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2,4-dichloro-5-methylsulfonylbenzoate
CID 10660602
methyl 4-amino-2-chloro-5-iodobenzoate
CID 11839203
methyl 2,4-dichloro-5-fluorosulfonylbenzoate
CID 122236166
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
ethoxycarbonyl 2-chloro-4-fluoro-5-hydrazinylbenzoate
CID 174346353

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-5-hydrazinylbenzoate?
The IUPAC name of methyl 2,4-dichloro-5-hydrazinylbenzoate (CID 57422972) is methyl 2,4-dichloro-5-hydrazinylbenzoate.
What is the SMILES notation for methyl 2,4-dichloro-5-hydrazinylbenzoate?
The canonical SMILES for methyl 2,4-dichloro-5-hydrazinylbenzoate is COC(=O)c1cc(NN)c(Cl)cc1Cl.
What is the InChIKey of methyl 2,4-dichloro-5-hydrazinylbenzoate?
The InChIKey is RTEZRWAORCVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-14-8(13)4-2-7(12-11)6(10)3-5(4)9/h2-3,12H,11H2,1H3.
What are the key properties of methyl 2,4-dichloro-5-hydrazinylbenzoate?
methyl 2,4-dichloro-5-hydrazinylbenzoate has a molecular weight of 235.07 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-5-hydrazinylbenzoate is sourced from PubChem (CID 57422972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).