ethyl 2-(4-azido-3,5-dibromophenyl)acetate

C10H9Br2N3O2 — CID 169325043

IUPACethyl 2-(4-azido-3,5-dibromophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C10H9Br2N3O2/c1-2-17-9(16)5-6-3-7(11)10(14-15-13)8(12)4-6/h3-4H,2,5H2,1H3
InChIKeyYLVQYKPEMWRBSB-UHFFFAOYSA-N
MW363.01 g/mol
LogP4.26
Rot. Bonds4

About ethyl 2-(4-azido-3,5-dibromophenyl)acetate

ethyl 2-(4-azido-3,5-dibromophenyl)acetate (PubChem CID 169325043) has the molecular formula C10H9Br2N3O2 and a molecular weight of 363.01 g/mol. Its IUPAC name is ethyl 2-(4-azido-3,5-dibromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-azido-3,5-dibromophenyl)acetate
PubChem CID169325043
Molecular FormulaC10H9Br2N3O2
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Nameethyl 2-(4-azido-3,5-dibromophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C10H9Br2N3O2/c1-2-17-9(16)5-6-3-7(11)10(14-15-13)8(12)4-6/h3-4H,2,5H2,1H3
InChIKeyYLVQYKPEMWRBSB-UHFFFAOYSA-N
XLogP4.26
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.01
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-(3-amino-5-bromo-4-fluorophenyl)acetate
CID 171019379
ethyl 2-(2-azido-3,4-difluorophenyl)acetate
CID 174847097
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
ethyl 2-[3-(bromomethyl)-4-cyano-5-hydroxyphenyl]acetate
CID 134652863
ethyl 2-(3-bromo-4-cyano-5-iodophenyl)acetate
CID 134638501
ethyl 2-[3-bromo-5-(bromomethyl)-4-(difluoromethoxy)phenyl]acetate
CID 171004231
ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate
CID 133098451
ethyl 2-(3-bromo-4-propan-2-ylsulfanylphenyl)acetate
CID 105426834
ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207
ethyl 2-[3-(bromomethyl)-5-chloro-4-methylphenyl]acetate
CID 171013266
ethyl 2-[3-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134632852

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-azido-3,5-dibromophenyl)acetate?
The IUPAC name of ethyl 2-(4-azido-3,5-dibromophenyl)acetate (CID 169325043) is ethyl 2-(4-azido-3,5-dibromophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-azido-3,5-dibromophenyl)acetate?
The canonical SMILES for ethyl 2-(4-azido-3,5-dibromophenyl)acetate is CCOC(=O)Cc1cc(Br)c(N=[N+]=[N-])c(Br)c1.
What is the InChIKey of ethyl 2-(4-azido-3,5-dibromophenyl)acetate?
The InChIKey is YLVQYKPEMWRBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O2/c1-2-17-9(16)5-6-3-7(11)10(14-15-13)8(12)4-6/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(4-azido-3,5-dibromophenyl)acetate?
ethyl 2-(4-azido-3,5-dibromophenyl)acetate has a molecular weight of 363.01 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-azido-3,5-dibromophenyl)acetate is sourced from PubChem (CID 169325043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).