ethyl 2-bromo-6-cyano-4-hydroxybenzoate

C10H8BrNO3 — CID 121227782

IUPACethyl 2-bromo-6-cyano-4-hydroxybenzoate
SMILESCCOC(=O)c1c(Br)cc(O)cc1C#N
InChIInChI=1S/C10H8BrNO3/c1-2-15-10(14)9-6(5-12)3-7(13)4-8(9)11/h3-4,13H,2H2,1H3
InChIKeyIERCSYYZHCAGSL-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.20
Rot. Bonds2

About ethyl 2-bromo-6-cyano-4-hydroxybenzoate

ethyl 2-bromo-6-cyano-4-hydroxybenzoate (PubChem CID 121227782) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is ethyl 2-bromo-6-cyano-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-6-cyano-4-hydroxybenzoate
PubChem CID121227782
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Nameethyl 2-bromo-6-cyano-4-hydroxybenzoate
SMILESCCOC(=O)c1c(Br)cc(O)cc1C#N
InChIInChI=1S/C10H8BrNO3/c1-2-15-10(14)9-6(5-12)3-7(13)4-8(9)11/h3-4,13H,2H2,1H3
InChIKeyIERCSYYZHCAGSL-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-bromo-4-chloro-6-cyanobenzoate
CID 131580896
ethyl 2-bromo-6-cyano-4-sulfanylbenzoate
CID 134650320
ethyl 2-(bromomethyl)-6-cyano-4-hydroxybenzoate
CID 131459516
ethyl 2-bromo-6-cyano-4-formylbenzoate
CID 121227738
ethyl 2-bromo-4-(chloromethyl)-6-cyanobenzoate
CID 131281418
ethyl 2-bromo-4-cyano-6-methylbenzoate
CID 131571925
ethyl 6-bromo-3-cyano-2-(hydroxymethyl)benzoate
CID 134650607
ethyl 6-bromo-3-cyano-2-ethylbenzoate
CID 134650290
ethyl 2,4-dichloro-6-cyanobenzoate
CID 134650108
ethyl 4-bromo-3-cyano-5-ethylbenzoate
CID 134650263
ethyl 2-(aminomethyl)-3-bromo-6-cyanobenzoate
CID 134650125
ethyl 4-(bromomethyl)-2-cyano-6-ethylbenzoate
CID 134650671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-6-cyano-4-hydroxybenzoate?
The IUPAC name of ethyl 2-bromo-6-cyano-4-hydroxybenzoate (CID 121227782) is ethyl 2-bromo-6-cyano-4-hydroxybenzoate.
What is the SMILES notation for ethyl 2-bromo-6-cyano-4-hydroxybenzoate?
The canonical SMILES for ethyl 2-bromo-6-cyano-4-hydroxybenzoate is CCOC(=O)c1c(Br)cc(O)cc1C#N.
What is the InChIKey of ethyl 2-bromo-6-cyano-4-hydroxybenzoate?
The InChIKey is IERCSYYZHCAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-2-15-10(14)9-6(5-12)3-7(13)4-8(9)11/h3-4,13H,2H2,1H3.
What are the key properties of ethyl 2-bromo-6-cyano-4-hydroxybenzoate?
ethyl 2-bromo-6-cyano-4-hydroxybenzoate has a molecular weight of 270.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-6-cyano-4-hydroxybenzoate is sourced from PubChem (CID 121227782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).