methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate

C9H7BrClFO3 — CID 117479158

IUPACmethyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H7BrClFO3/c1-15-9(14)8(13)6-5(11)3-2-4(10)7(6)12/h2-3,8,13H,1H3
InChIKeyFSYBTCCWGCWYCZ-UHFFFAOYSA-N
MW297.51 g/mol
LogP2.45
Rot. Bonds2

About methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate

methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate (PubChem CID 117479158) has the molecular formula C9H7BrClFO3 and a molecular weight of 297.51 g/mol. Its IUPAC name is methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
PubChem CID117479158
Molecular FormulaC9H7BrClFO3
Molecular Weight297.51 g/mol
Exact Mass295.93
IUPAC Namemethyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H7BrClFO3/c1-15-9(14)8(13)6-5(11)3-2-4(10)7(6)12/h2-3,8,13H,1H3
InChIKeyFSYBTCCWGCWYCZ-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117434935
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117491996
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate (CID 117479158) is methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Cl)ccc(Br)c1F.
What is the InChIKey of methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate?
The InChIKey is FSYBTCCWGCWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO3/c1-15-9(14)8(13)6-5(11)3-2-4(10)7(6)12/h2-3,8,13H,1H3.
What are the key properties of methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate?
methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate has a molecular weight of 297.51 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 117479158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).