methyl 2-chloro-4-hydrazinylbenzoate

C8H9ClN2O2 — CID 21414029

IUPACmethyl 2-chloro-4-hydrazinylbenzoate
SMILESCOC(=O)c1ccc(NN)cc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)6-3-2-5(11-10)4-7(6)9/h2-4,11H,10H2,1H3
InChIKeyWGTWQMQOTAZJOP-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-chloro-4-hydrazinylbenzoate

methyl 2-chloro-4-hydrazinylbenzoate (PubChem CID 21414029) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is methyl 2-chloro-4-hydrazinylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-hydrazinylbenzoate
PubChem CID21414029
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-chloro-4-hydrazinylbenzoate
SMILESCOC(=O)c1ccc(NN)cc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)6-3-2-5(11-10)4-7(6)9/h2-4,11H,10H2,1H3
InChIKeyWGTWQMQOTAZJOP-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.41
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 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
methyl 2-bromo-5-hydrazinylbenzoate
CID 130053361
methyl 2,4-dichloro-5-hydrazinylbenzoate
CID 57422972
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530914
methyl 4-(bromomethyl)-2-chlorobenzoate
CID 22072833
methyl 2-amino-5-(3,5-dichloro-4-fluoroanilino)benzoate
CID 107577624
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-hydrazinylbenzoate?
The IUPAC name of methyl 2-chloro-4-hydrazinylbenzoate (CID 21414029) is methyl 2-chloro-4-hydrazinylbenzoate.
What is the SMILES notation for methyl 2-chloro-4-hydrazinylbenzoate?
The canonical SMILES for methyl 2-chloro-4-hydrazinylbenzoate is COC(=O)c1ccc(NN)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-hydrazinylbenzoate?
The InChIKey is WGTWQMQOTAZJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-8(12)6-3-2-5(11-10)4-7(6)9/h2-4,11H,10H2,1H3.
What are the key properties of methyl 2-chloro-4-hydrazinylbenzoate?
methyl 2-chloro-4-hydrazinylbenzoate has a molecular weight of 200.63 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-hydrazinylbenzoate is sourced from PubChem (CID 21414029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).