methyl 3-hydrazinylbenzoate;hydrochloride

C8H11ClN2O2 — CID 23285088

IUPACmethyl 3-hydrazinylbenzoate;hydrochloride
SMILESCOC(=O)c1cccc(NN)c1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-3-2-4-7(5-6)10-9;/h2-5,10H,9H2,1H3;1H
InChIKeyOBALLCFRLYMDPH-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.18
Rot. Bonds2

About methyl 3-hydrazinylbenzoate;hydrochloride

methyl 3-hydrazinylbenzoate;hydrochloride (PubChem CID 23285088) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is methyl 3-hydrazinylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-hydrazinylbenzoate;hydrochloride
PubChem CID23285088
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Namemethyl 3-hydrazinylbenzoate;hydrochloride
SMILESCOC(=O)c1cccc(NN)c1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-3-2-4-7(5-6)10-9;/h2-5,10H,9H2,1H3;1H
InChIKeyOBALLCFRLYMDPH-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.18
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

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ethane;3-hydrazinylbenzoic acid
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azane;dimethyl benzene-1,3-dicarboxylate;hydron
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methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
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methyl 3-[(2-hydroxyacetyl)amino]benzoate
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methyl 3-(hydrazinylmethyl)benzoate;hydrochloride
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methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
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methyl 3-(propan-2-ylsulfanylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydrazinylbenzoate;hydrochloride?
The IUPAC name of methyl 3-hydrazinylbenzoate;hydrochloride (CID 23285088) is methyl 3-hydrazinylbenzoate;hydrochloride.
What is the SMILES notation for methyl 3-hydrazinylbenzoate;hydrochloride?
The canonical SMILES for methyl 3-hydrazinylbenzoate;hydrochloride is COC(=O)c1cccc(NN)c1.Cl.
What is the InChIKey of methyl 3-hydrazinylbenzoate;hydrochloride?
The InChIKey is OBALLCFRLYMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-3-2-4-7(5-6)10-9;/h2-5,10H,9H2,1H3;1H.
What are the key properties of methyl 3-hydrazinylbenzoate;hydrochloride?
methyl 3-hydrazinylbenzoate;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydrazinylbenzoate;hydrochloride is sourced from PubChem (CID 23285088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).