methyl 2-bromo-5-hydrazinylbenzoate

C8H9BrN2O2 — CID 130053361

IUPACmethyl 2-bromo-5-hydrazinylbenzoate
SMILESCOC(=O)c1cc(NN)ccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)6-4-5(11-10)2-3-7(6)9/h2-4,11H,10H2,1H3
InChIKeyJZHZYUAVDZPQAQ-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-bromo-5-hydrazinylbenzoate

methyl 2-bromo-5-hydrazinylbenzoate (PubChem CID 130053361) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl 2-bromo-5-hydrazinylbenzoate.

Molecular Properties

Compound Namemethyl 2-bromo-5-hydrazinylbenzoate
PubChem CID130053361
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl 2-bromo-5-hydrazinylbenzoate
SMILESCOC(=O)c1cc(NN)ccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-8(12)6-4-5(11-10)2-3-7(6)9/h2-4,11H,10H2,1H3
InChIKeyJZHZYUAVDZPQAQ-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.52
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'}

Analyze methyl 2-bromo-5-hydrazinylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340
(4-bromo-3-methoxyphenyl)hydrazine
CID 54372982
methyl 2-amino-5-(2,5-dibromoanilino)benzoate
CID 63423389
methyl 2-bromo-5-[[(3S)-2-oxopyrrolidin-3-yl]amino]benzoate
CID 97124059
2-bromo-4-hydrazinylbenzoic acid
CID 119017518
methyl 2-bromo-5-(cyclooctatetraenyl)benzoate
CID 90827911
methyl 2-bromo-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzoate
CID 52911220
methyl 2-amino-5-(4-bromo-2,3-dichloroanilino)benzoate
CID 107792948
methyl 2-bromo-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoate
CID 47066316
methyl 2-bromo-5-[4-(hydroxymethyl)phenyl]benzoate
CID 170794940

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-hydrazinylbenzoate?
The IUPAC name of methyl 2-bromo-5-hydrazinylbenzoate (CID 130053361) is methyl 2-bromo-5-hydrazinylbenzoate.
What is the SMILES notation for methyl 2-bromo-5-hydrazinylbenzoate?
The canonical SMILES for methyl 2-bromo-5-hydrazinylbenzoate is COC(=O)c1cc(NN)ccc1Br.
What is the InChIKey of methyl 2-bromo-5-hydrazinylbenzoate?
The InChIKey is JZHZYUAVDZPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-8(12)6-4-5(11-10)2-3-7(6)9/h2-4,11H,10H2,1H3.
What are the key properties of methyl 2-bromo-5-hydrazinylbenzoate?
methyl 2-bromo-5-hydrazinylbenzoate has a molecular weight of 245.08 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-hydrazinylbenzoate is sourced from PubChem (CID 130053361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).