methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate

C10H8BrNO3 — CID 131576437

IUPACmethyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(C#N)cc1O
InChIInChI=1S/C10H8BrNO3/c1-15-10(14)4-6-2-8(11)7(5-12)3-9(6)13/h2-3,13H,4H2,1H3
InChIKeyVNKZEZOBOYUDBA-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.74
Rot. Bonds2

About methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate

methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate (PubChem CID 131576437) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
PubChem CID131576437
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Namemethyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(C#N)cc1O
InChIInChI=1S/C10H8BrNO3/c1-15-10(14)4-6-2-8(11)7(5-12)3-9(6)13/h2-3,13H,4H2,1H3
InChIKeyVNKZEZOBOYUDBA-UHFFFAOYSA-N
XLogP1.74
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-bromo-4-cyano-2-formylphenyl)acetate
CID 134635476
methyl 2-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
methyl 2-(2-bromo-4-cyano-5-fluorophenyl)acetate
CID 131256038
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134658267
2-(4-bromo-5-cyano-2-hydroxyphenyl)acetic acid
CID 118804843
methyl 2-(4-bromo-3-cyano-5-hydroxyphenyl)acetate
CID 131568096
methyl 2-[5-(aminomethyl)-4-bromo-2-cyanophenyl]acetate
CID 134658085
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
ethyl 2-(5-bromo-4-cyano-2-methylphenyl)acetate
CID 134652671
methyl 4-bromo-5-cyano-2-hydroxybenzoate
CID 121227807
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
methyl 2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetate
CID 19622654

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate (CID 131576437) is methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate is COC(=O)Cc1cc(Br)c(C#N)cc1O.
What is the InChIKey of methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate?
The InChIKey is VNKZEZOBOYUDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-15-10(14)4-6-2-8(11)7(5-12)3-9(6)13/h2-3,13H,4H2,1H3.
What are the key properties of methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate?
methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate has a molecular weight of 270.08 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate is sourced from PubChem (CID 131576437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).