methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate

C8H8BrNO3 — CID 54401344

IUPACmethyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(Br)c1O
InChIInChI=1S/C8H8BrNO3/c1-13-6(11)4-5-2-3-10-8(9)7(5)12/h2-3,12H,4H2,1H3
InChIKeyOKCCMYICRVOODE-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.27
Rot. Bonds2

About methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate

methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate (PubChem CID 54401344) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
PubChem CID54401344
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(Br)c1O
InChIInChI=1S/C8H8BrNO3/c1-13-6(11)4-5-2-3-10-8(9)7(5)12/h2-3,12H,4H2,1H3
InChIKeyOKCCMYICRVOODE-UHFFFAOYSA-N
XLogP1.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-bromo-3-cyano-4-pyridinyl)acetate
CID 131030120
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(3-hydroxy-2-nitro-4-pyridinyl)acetate
CID 133097053
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
CID 130867118
methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
CID 133098459
methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
CID 67691350
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate (CID 54401344) is methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate is COC(=O)Cc1ccnc(Br)c1O.
What is the InChIKey of methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate?
The InChIKey is OKCCMYICRVOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-13-6(11)4-5-2-3-10-8(9)7(5)12/h2-3,12H,4H2,1H3.
What are the key properties of methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate?
methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate has a molecular weight of 246.06 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate is sourced from PubChem (CID 54401344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).