2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid

C8H5BrFIO3 — CID 171001373

IUPAC2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(I)ccc(Br)c1F
InChIInChI=1S/C8H5BrFIO3/c9-3-1-2-4(11)5(6(3)10)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyBIECLDMUXWNGMC-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid

2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid (PubChem CID 171001373) has the molecular formula C8H5BrFIO3 and a molecular weight of 374.93 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
PubChem CID171001373
Molecular FormulaC8H5BrFIO3
Molecular Weight374.93 g/mol
Exact Mass373.85
IUPAC Name2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(I)ccc(Br)c1F
InChIInChI=1S/C8H5BrFIO3/c9-3-1-2-4(11)5(6(3)10)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyBIECLDMUXWNGMC-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
CID 130967567
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118998450
2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
CID 119000982
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
CID 131621169
(4-bromo-3-fluoro-2-iodophenyl)carbamic acid
CID 23000113
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid (CID 171001373) is 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1c(I)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid?
The InChIKey is BIECLDMUXWNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFIO3/c9-3-1-2-4(11)5(6(3)10)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid?
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid has a molecular weight of 374.93 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171001373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).