methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate

C10H11Br2NO2 — CID 134407506

IUPACmethyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
SMILESCOC(=O)Cc1c(Br)cc(Br)c(N)c1C
InChIInChI=1S/C10H11Br2NO2/c1-5-6(3-9(14)15-2)7(11)4-8(12)10(5)13/h4H,3,13H2,1-2H3
InChIKeyQHPHNUDOTIVADW-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.82
Rot. Bonds2

About methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate

methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate (PubChem CID 134407506) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
PubChem CID134407506
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Namemethyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
SMILESCOC(=O)Cc1c(Br)cc(Br)c(N)c1C
InChIInChI=1S/C10H11Br2NO2/c1-5-6(3-9(14)15-2)7(11)4-8(12)10(5)13/h4H,3,13H2,1-2H3
InChIKeyQHPHNUDOTIVADW-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
CID 58892842
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 4-(4-amino-3,5-dibromophenyl)-3-oxobutanoate
CID 68854381
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
methyl 2-[6-(bromomethyl)-2,3-dimethylphenyl]acetate
CID 171017935
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-(3,6-diamino-2-methoxyphenyl)acetate
CID 171030798

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate (CID 134407506) is methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate is COC(=O)Cc1c(Br)cc(Br)c(N)c1C.
What is the InChIKey of methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate?
The InChIKey is QHPHNUDOTIVADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-5-6(3-9(14)15-2)7(11)4-8(12)10(5)13/h4H,3,13H2,1-2H3.
What are the key properties of methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate?
methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate has a molecular weight of 337.01 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate is sourced from PubChem (CID 134407506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).